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

C25H29N7O3S — CID 146306819

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

N-[5-cyano-4-(1-methylsulfanylpropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 146306819) has the molecular formula C25H29N7O3S and a molecular weight of 507.62 g/mol. Its IUPAC name is N-[5-cyano-4-(1-methylsulfanylpropan-2-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-(1-methylsulfanylpropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 146306819
• Molecular Formula: C25H29N7O3S
• Molecular Weight: 507.62 g/mol
• Exact Mass: 507.21
• IUPAC Name: N-[5-cyano-4-(1-methylsulfanylpropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CSCC(C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C25H29N7O3S/c1-16(15-36-2)28-20-10-22(27-12-19(20)11-26)30-25(35)32-8-3-5-17-9-18(21(14-33)29-24(17)32)13-31-7-4-6-23(31)34/h9-10,12,14,16H,3-8,13,15H2,1-2H3,(H2,27,28,30,35)
• InChIKey: WEBOKBSUDVNGJK-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 131.32 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	507.62
LogP ≤ 5	3.43
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-(1-methylsulfanylpropan-2-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-(1-methylsulfanylpropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 146306819) is N-[5-cyano-4-(1-methylsulfanylpropan-2-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-(1-methylsulfanylpropan-2-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-(1-methylsulfanylpropan-2-ylamino)-2-pyridinyl]-7-formyl-6-[(2-oxopyrrolidin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CSCC(C)Nc1cc(NC(=O)N2CCCc3cc(CN4CCCC4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is WEBOKBSUDVNGJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N7O3S/c1-16(15-36-2)28-20-10-22(27-12-19(20)11-26)30-25(35)32-8-3-5-17-9-18(21(14-33)29-24(17)32)13-31-7-4-6-23(31)34/h9-10,12,14,16H,3-8,13,15H2,1-2H3,(H2,27,28,30,35).

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

N-[5-cyano-4-(1-methylsulfanylpropan-2-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 507.62 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(1-methylsulfanylpropan-2-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 146306819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).