trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide

C22H21N5O3 — CID 160702404

About trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide

trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide (PubChem CID 160702404) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide
• PubChem CID: 160702404
• Molecular Formula: C22H21N5O3
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.16
• IUPAC Name: trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide
• SMILES: Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C3CNC(=O)O3)ncc2c(N)n1
• InChI: InChI=1S/C22H21N5O3/c1-11-4-2-3-5-13(11)17-6-12-7-19(24-9-16(12)20(23)26-17)27-21(28)15-8-14(15)18-10-25-22(29)30-18/h2-7,9,14-15,18H,8,10H2,1H3,(H2,23,26)(H,25,29)(H,24,27,28)/t14-,15-,18?/m1/s1
• InChIKey: UDQHRSRRAHBIIO-QOYAAKSSSA-N
• XLogP: 2.87
• TPSA: 119.23 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	2.87
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide?

The IUPAC name of trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide (CID 160702404) is trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide.

What is the SMILES notation for trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide?

The canonical SMILES for trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C3CNC(=O)O3)ncc2c(N)n1.

What is the InChIKey of trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide?

The InChIKey is UDQHRSRRAHBIIO-QOYAAKSSSA-N. The full InChI is InChI=1S/C22H21N5O3/c1-11-4-2-3-5-13(11)17-6-12-7-19(24-9-16(12)20(23)26-17)27-21(28)15-8-14(15)18-10-25-22(29)30-18/h2-7,9,14-15,18H,8,10H2,1H3,(H2,23,26)(H,25,29)(H,24,27,28)/t14-,15-,18?/m1/s1.

What are the key properties of trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide?

trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide has a molecular weight of 403.44 g/mol, XLogP of 2.87, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(2-oxo-1,3-oxazolidin-5-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 160702404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).