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

C28H32N6O4 — CID 163940183

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

N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 163940183) has the molecular formula C28H32N6O4 and a molecular weight of 516.60 g/mol. Its IUPAC name is N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 163940183
• Molecular Formula: C28H32N6O4
• Molecular Weight: 516.60 g/mol
• Exact Mass: 516.25
• IUPAC Name: N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CO[C@H]1CC[C@H]1Cc1cc(NC(=O)N2CCCc3cc(CN4CCC(C)C4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C28H32N6O4/c1-17-7-9-33(27(17)36)15-21-11-19-4-3-8-34(26(19)31-23(21)16-35)28(37)32-25-12-20(22(13-29)14-30-25)10-18-5-6-24(18)38-2/h11-12,14,16-18,24H,3-10,15H2,1-2H3,(H,30,32,37)/t17?,18-,24-/m0/s1
• InChIKey: QUCNKTPBZNYRNP-SLLFDQQSSA-N
• XLogP: 3.48
• TPSA: 128.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.60
LogP ≤ 5	3.48
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-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 163940183) is N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(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-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CO[C@H]1CC[C@H]1Cc1cc(NC(=O)N2CCCc3cc(CN4CCC(C)C4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is QUCNKTPBZNYRNP-SLLFDQQSSA-N. The full InChI is InChI=1S/C28H32N6O4/c1-17-7-9-33(27(17)36)15-21-11-19-4-3-8-34(26(19)31-23(21)16-35)28(37)32-25-12-20(22(13-29)14-30-25)10-18-5-6-24(18)38-2/h11-12,14,16-18,24H,3-10,15H2,1-2H3,(H,30,32,37)/t17?,18-,24-/m0/s1.

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

N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 516.60 g/mol, XLogP of 3.48, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[[(1S,2S)-2-methoxycyclobutyl]methyl]-2-pyridinyl]-7-formyl-6-[(3-methyl-2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 163940183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).