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

C27H32N6O4 — CID 163572941

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

N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 163572941) has the molecular formula C27H32N6O4 and a molecular weight of 504.59 g/mol. Its IUPAC name is N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 163572941
• Molecular Formula: C27H32N6O4
• Molecular Weight: 504.59 g/mol
• Exact Mass: 504.25
• IUPAC Name: N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COC[C@@H](C)Cc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](C)C4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C27H32N6O4/c1-17(16-37-3)9-20-11-24(29-13-22(20)12-28)31-27(36)33-7-4-5-19-10-21(23(15-34)30-25(19)33)14-32-8-6-18(2)26(32)35/h10-11,13,15,17-18H,4-9,14,16H2,1-3H3,(H,29,31,36)/t17-,18+/m0/s1
• InChIKey: XNOPVVCRKNELEY-ZWKOTPCHSA-N
• XLogP: 3.34
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.59
LogP ≤ 5	3.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 163572941) is N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COC[C@@H](C)Cc1cc(NC(=O)N2CCCc3cc(CN4CC[C@@H](C)C4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is XNOPVVCRKNELEY-ZWKOTPCHSA-N. The full InChI is InChI=1S/C27H32N6O4/c1-17(16-37-3)9-20-11-24(29-13-22(20)12-28)31-27(36)33-7-4-5-19-10-21(23(15-34)30-25(19)33)14-32-8-6-18(2)26(32)35/h10-11,13,15,17-18H,4-9,14,16H2,1-3H3,(H,29,31,36)/t17-,18+/m0/s1.

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

N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 504.59 g/mol, XLogP of 3.34, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[(2S)-3-methoxy-2-methylpropyl]-2-pyridinyl]-7-formyl-6-[[(3R)-3-methyl-2-oxopyrrolidin-1-yl]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 163572941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).