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

C25H27N7O4 — CID 134255889

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

N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134255889) has the molecular formula C25H27N7O4 and a molecular weight of 489.54 g/mol. Its IUPAC name is N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 134255889
• Molecular Formula: C25H27N7O4
• Molecular Weight: 489.54 g/mol
• Exact Mass: 489.21
• IUPAC Name: N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)cc1NC1CCOC1
• InChI: InChI=1S/C25H27N7O4/c26-11-18-12-27-22(10-20(18)28-19-5-8-36-15-19)30-25(35)32-7-1-3-16-9-17(21(14-33)29-24(16)32)13-31-6-2-4-23(31)34/h9-10,12,14,19H,1-8,13,15H2,(H2,27,28,30,35)
• InChIKey: KPHKIMPWRVPUTK-UHFFFAOYSA-N
• XLogP: 2.47
• TPSA: 140.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	489.54
LogP ≤ 5	2.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134255889) is N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)cc1NC1CCOC1.

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

The InChIKey is KPHKIMPWRVPUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N7O4/c26-11-18-12-27-22(10-20(18)28-19-5-8-36-15-19)30-25(35)32-7-1-3-16-9-17(21(14-33)29-24(16)32)13-31-6-2-4-23(31)34/h9-10,12,14,19H,1-8,13,15H2,(H2,27,28,30,35).

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

N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 489.54 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(oxolan-3-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134255889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).