N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid

C69H84N14O7 — CID 167621508

About N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid

N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid (PubChem CID 167621508) has the molecular formula C69H84N14O7 and a molecular weight of 1221.52 g/mol. Its IUPAC name is N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid.

Molecular Properties

• Compound Name: N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid
• PubChem CID: 167621508
• Molecular Formula: C69H84N14O7
• Molecular Weight: 1221.52 g/mol
• Exact Mass: 1220.66
• IUPAC Name: N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid
• SMILES: C=CC(=O)N1CCN(c2cc(C(=O)NC[C@H](C)N)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C[C@@H](CN)NC(=O)OC(C)(C)C
• InChI: InChI=1S/C32H37N7O2.C29H29N5O3.C8H18N2O2/c1-4-30(40)39-16-15-38(19-24(39)11-13-33)29-17-26(32(41)35-18-22(3)34)36-27-20-37(14-12-25(27)29)28-10-6-9-23-8-5-7-21(2)31(23)28;1-3-27(35)34-15-14-33(17-21(34)10-12-30)26-16-23(29(36)37)31-24-18-32(13-11-22(24)26)25-9-5-8-20-7-4-6-19(2)28(20)25;1-6(5-9)10-7(11)12-8(2,3)4/h4-10,17,22,24H,1,11-12,14-16,18-20,34H2,2-3H3,(H,35,41);3-9,16,21H,1,10-11,13-15,17-18H2,2H3,(H,36,37);6H,5,9H2,1-4H3,(H,10,11)/t22-,24-;21-;6-/m000/s1
• InChIKey: MMTMGUWGFZOEHP-BZSDILRGSA-N
• XLogP: 8.08
• TPSA: 283.71 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1221.52
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid?

The IUPAC name of N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid (CID 167621508) is N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid.

What is the SMILES notation for N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid?

The canonical SMILES for N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid is C=CC(=O)N1CCN(c2cc(C(=O)NC[C@H](C)N)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2cc(C(=O)O)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.C[C@@H](CN)NC(=O)OC(C)(C)C.

What is the InChIKey of N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid?

The InChIKey is MMTMGUWGFZOEHP-BZSDILRGSA-N. The full InChI is InChI=1S/C32H37N7O2.C29H29N5O3.C8H18N2O2/c1-4-30(40)39-16-15-38(19-24(39)11-13-33)29-17-26(32(41)35-18-22(3)34)36-27-20-37(14-12-25(27)29)28-10-6-9-23-8-5-7-21(2)31(23)28;1-3-27(35)34-15-14-33(17-21(34)10-12-30)26-16-23(29(36)37)31-24-18-32(13-11-22(24)26)25-9-5-8-20-7-4-6-19(2)28(20)25;1-6(5-9)10-7(11)12-8(2,3)4/h4-10,17,22,24H,1,11-12,14-16,18-20,34H2,2-3H3,(H,35,41);3-9,16,21H,1,10-11,13-15,17-18H2,2H3,(H,36,37);6H,5,9H2,1-4H3,(H,10,11)/t22-,24-;21-;6-/m000/s1.

What are the key properties of N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid?

N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid has a molecular weight of 1221.52 g/mol, XLogP of 8.08, 14 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-aminopropyl]-4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide;tert-butyl N-[(2S)-1-aminopropan-2-yl]carbamate;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-2-carboxylic acid is sourced from PubChem (CID 167621508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).