N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide

C139H135FN32O9 — CID 157355122

About N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide

N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide (PubChem CID 157355122) has the molecular formula C139H135FN32O9 and a molecular weight of 2416.82 g/mol. Its IUPAC name is N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide
• PubChem CID: 157355122
• Molecular Formula: C139H135FN32O9
• Molecular Weight: 2416.82 g/mol
• Exact Mass: 2415.11
• IUPAC Name: N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide
• SMILES: CC(=O)Nc1cc2c(F)c(-c3ccccc3C)nc(N)c2cn1.Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3CN)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3CN)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3CO)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CO)ncc2c(N)n1.[C-]#[N+]C[C@@H]1CC1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.[C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1
• InChI: InChI=1S/2C21H19N5O.2C20H21N5O.2C20H20N4O2.C17H15FN4O/c2*1-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(22)25-18)26-21(27)16-7-14(16)10-23-2;2*1-11-4-2-3-5-14(11)17-7-12-8-18(23-10-16(12)19(22)24-17)25-20(26)15-6-13(15)9-21;2*1-11-4-2-3-5-14(11)17-7-12-8-18(22-9-16(12)19(21)23-17)24-20(26)15-6-13(15)10-25;1-9-5-3-4-6-11(9)16-15(18)12-7-14(21-10(2)23)20-8-13(12)17(19)22-16/h2*3-6,8-9,11,14,16H,7,10H2,1H3,(H2,22,25)(H,24,26,27);2*2-5,7-8,10,13,15H,6,9,21H2,1H3,(H2,22,24)(H,23,25,26);2*2-5,7-9,13,15,25H,6,10H2,1H3,(H2,21,23)(H,22,24,26);3-8H,1-2H3,(H2,19,22)(H,20,21,23)/t14-,16?;14-,16+;13-,15?;3*13-,15+;/m011010./s1
• InChIKey: BHZKUENIDRNOBF-CEDVSCCXSA-N
• XLogP: 21.60
• TPSA: 667.52 Ų
• H-Bond Donors: 18
• H-Bond Acceptors: 32
• Rotatable Bonds: 26
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2416.82
LogP ≤ 5	21.60
H-Bond Donors ≤ 5	18
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The IUPAC name of N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide (CID 157355122) is N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide.

What is the SMILES notation for N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The canonical SMILES for N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide is CC(=O)Nc1cc2c(F)c(-c3ccccc3C)nc(N)c2cn1.Cc1ccccc1-c1cc2cc(NC(=O)C3C[C@@H]3CN)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3CN)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3CO)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CO)ncc2c(N)n1.[C-]#[N+]C[C@@H]1CC1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.[C-]#[N+]C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.

What is the InChIKey of N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

The InChIKey is BHZKUENIDRNOBF-CEDVSCCXSA-N. The full InChI is InChI=1S/2C21H19N5O.2C20H21N5O.2C20H20N4O2.C17H15FN4O/c2*1-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(22)25-18)26-21(27)16-7-14(16)10-23-2;2*1-11-4-2-3-5-14(11)17-7-12-8-18(23-10-16(12)19(22)24-17)25-20(26)15-6-13(15)9-21;2*1-11-4-2-3-5-14(11)17-7-12-8-18(22-9-16(12)19(21)23-17)24-20(26)15-6-13(15)10-25;1-9-5-3-4-6-11(9)16-15(18)12-7-14(21-10(2)23)20-8-13(12)17(19)22-16/h2*3-6,8-9,11,14,16H,7,10H2,1H3,(H2,22,25)(H,24,26,27);2*2-5,7-8,10,13,15H,6,9,21H2,1H3,(H2,22,24)(H,23,25,26);2*2-5,7-9,13,15,25H,6,10H2,1H3,(H2,21,23)(H,22,24,26);3-8H,1-2H3,(H2,19,22)(H,20,21,23)/t14-,16?;14-,16+;13-,15?;3*13-,15+;/m011010./s1.

What are the key properties of N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide?

N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide has a molecular weight of 2416.82 g/mol, XLogP of 21.60, 26 rotatable bonds, 18 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-5-fluoro-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]acetamide;(2S)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;(2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-2-(aminomethyl)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(hydroxymethyl)cyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157355122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).