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

C26H30N8O3 — CID 145406929

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

N-[5-cyano-4-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 145406929) has the molecular formula C26H30N8O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is N-[5-cyano-4-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 145406929
• Molecular Formula: C26H30N8O3
• Molecular Weight: 502.58 g/mol
• Exact Mass: 502.24
• IUPAC Name: N-[5-cyano-4-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN1CCCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4CC4)c(C#N)cn2)CCC3)C(=O)C1
• InChI: InChI=1S/C26H30N8O3/c1-32-7-3-8-33(24(36)15-32)14-18-10-17-4-2-9-34(25(17)30-22(18)16-35)26(37)31-23-11-21(29-20-5-6-20)19(12-27)13-28-23/h10-11,13,16,20H,2-9,14-15H2,1H3,(H2,28,29,31,37)
• InChIKey: IWFYCUHTDOVYBR-UHFFFAOYSA-N
• XLogP: 2.38
• TPSA: 134.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.58
LogP ≤ 5	2.38
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-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 145406929) is N-[5-cyano-4-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN1CCCN(Cc2cc3c(nc2C=O)N(C(=O)Nc2cc(NC4CC4)c(C#N)cn2)CCC3)C(=O)C1.

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

The InChIKey is IWFYCUHTDOVYBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3/c1-32-7-3-8-33(24(36)15-32)14-18-10-17-4-2-9-34(25(17)30-22(18)16-35)26(37)31-23-11-21(29-20-5-6-20)19(12-27)13-28-23/h10-11,13,16,20H,2-9,14-15H2,1H3,(H2,28,29,31,37).

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

N-[5-cyano-4-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 502.58 g/mol, XLogP of 2.38, 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-(cyclopropylamino)-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxo-1,4-diazepan-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 145406929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).