N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C28H31N7O5 — CID 138683480

About N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 138683480) has the molecular formula C28H31N7O5 and a molecular weight of 545.60 g/mol. Its IUPAC name is N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 138683480
• Molecular Formula: C28H31N7O5
• Molecular Weight: 545.60 g/mol
• Exact Mass: 545.24
• IUPAC Name: N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CO[C@H]1CCN(c2cc(NC(=O)N3CCCc4cc(CN5CC[C@@H](OC)C5=C=O)c(C=O)nc43)ncc2C#N)C1
• InChI: InChI=1S/C28H31N7O5/c1-39-21-5-8-34(15-21)23-11-26(30-13-20(23)12-29)32-28(38)35-7-3-4-18-10-19(22(16-36)31-27(18)35)14-33-9-6-25(40-2)24(33)17-37/h10-11,13,16,21,25H,3-9,14-15H2,1-2H3,(H,30,32,38)/t21-,25+/m0/s1
• InChIKey: RFHLJYWQKXKZFQ-SQJMNOBHSA-N
• XLogP: 2.31
• TPSA: 140.99 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	545.60
LogP ≤ 5	2.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 138683480) is N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CO[C@H]1CCN(c2cc(NC(=O)N3CCCc4cc(CN5CC[C@@H](OC)C5=C=O)c(C=O)nc43)ncc2C#N)C1.

What is the InChIKey of N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is RFHLJYWQKXKZFQ-SQJMNOBHSA-N. The full InChI is InChI=1S/C28H31N7O5/c1-39-21-5-8-34(15-21)23-11-26(30-13-20(23)12-29)32-28(38)35-7-3-4-18-10-19(22(16-36)31-27(18)35)14-33-9-6-25(40-2)24(33)17-37/h10-11,13,16,21,25H,3-9,14-15H2,1-2H3,(H,30,32,38)/t21-,25+/m0/s1.

What are the key properties of N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 545.60 g/mol, XLogP of 2.31, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methoxy-2-(oxomethylidene)pyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 138683480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).