N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C29H36N8O4 — CID 134255805

About N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 134255805) has the molecular formula C29H36N8O4 and a molecular weight of 560.66 g/mol. Its IUPAC name is N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 134255805
• Molecular Formula: C29H36N8O4
• Molecular Weight: 560.66 g/mol
• Exact Mass: 560.29
• IUPAC Name: N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(N3CCC(N(C)C)C3)c(C#N)cn1)CCC2)C(=O)C1CCCO1
• InChI: InChI=1S/C29H36N8O4/c1-34(2)22-8-10-36(17-22)24-13-26(31-15-21(24)14-30)33-29(40)37-9-4-6-19-12-20(23(18-38)32-27(19)37)16-35(3)28(39)25-7-5-11-41-25/h12-13,15,18,22,25H,4-11,16-17H2,1-3H3,(H,31,33,40)
• InChIKey: ZMDILDAZPFMVHU-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 135.00 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	560.66
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 134255805) is N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

What is the SMILES notation for N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN(Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(N3CCC(N(C)C)C3)c(C#N)cn1)CCC2)C(=O)C1CCCO1.

What is the InChIKey of N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The InChIKey is ZMDILDAZPFMVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N8O4/c1-34(2)22-8-10-36(17-22)24-13-26(31-15-21(24)14-30)33-29(40)37-9-4-6-19-12-20(23(18-38)32-27(19)37)16-35(3)28(39)25-7-5-11-41-25/h12-13,15,18,22,25H,4-11,16-17H2,1-3H3,(H,31,33,40).

What are the key properties of N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 560.66 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[3-(dimethylamino)pyrrolidin-1-yl]-2-pyridinyl]-7-formyl-6-[[methyl(oxolane-2-carbonyl)amino]methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 134255805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).