N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane

C31H38N8O3 — CID 142393062

About N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane

N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane (PubChem CID 142393062) has the molecular formula C31H38N8O3 and a molecular weight of 570.70 g/mol. Its IUPAC name is N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane.

Molecular Properties

• Compound Name: N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane
• PubChem CID: 142393062
• Molecular Formula: C31H38N8O3
• Molecular Weight: 570.70 g/mol
• Exact Mass: 570.31
• IUPAC Name: N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane
• SMILES: C#CC1(Nc2cc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C=O)nc43)ncc2C#N)CCCC1.CC
• InChI: InChI=1S/C29H32N8O3.C2H6/c1-3-29(8-4-5-9-29)34-23-14-25(31-16-22(23)15-30)33-28(40)37-10-6-7-20-13-21(24(19-38)32-27(20)37)17-36-12-11-35(2)18-26(36)39;1-2/h1,13-14,16,19H,4-12,17-18H2,2H3,(H2,31,33,34,40);1-2H3
• InChIKey: KEODLPPIGUIKNY-UHFFFAOYSA-N
• XLogP: 3.80
• TPSA: 134.56 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.70
LogP ≤ 5	3.80
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane (CID 142393062) is N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane.

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

The canonical SMILES for N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane is C#CC1(Nc2cc(NC(=O)N3CCCc4cc(CN5CCN(C)CC5=O)c(C=O)nc43)ncc2C#N)CCCC1.CC.

What is the InChIKey of N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane?

The InChIKey is KEODLPPIGUIKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N8O3.C2H6/c1-3-29(8-4-5-9-29)34-23-14-25(31-16-22(23)15-30)33-28(40)37-10-6-7-20-13-21(24(19-38)32-27(20)37)17-36-12-11-35(2)18-26(36)39;1-2/h1,13-14,16,19H,4-12,17-18H2,2H3,(H2,31,33,34,40);1-2H3.

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

N-[5-cyano-4-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane has a molecular weight of 570.70 g/mol, XLogP of 3.80, 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-[(1-ethynylcyclopentyl)amino]-2-pyridinyl]-7-formyl-6-[(4-methyl-2-oxopiperazin-1-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;ethane is sourced from PubChem (CID 142393062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).