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

C29H37N7O4 — CID 139465574

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

N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 139465574) has the molecular formula C29H37N7O4 and a molecular weight of 547.66 g/mol. Its IUPAC name is N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 139465574
• Molecular Formula: C29H37N7O4
• Molecular Weight: 547.66 g/mol
• Exact Mass: 547.29
• IUPAC Name: N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC1COCCN1Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC3CCCC3)c(C#N)cn1)CCC2
• InChI: InChI=1S/C29H37N7O4/c1-20-19-39-12-10-35(20)17-22-13-21-5-4-9-36(28(21)33-26(22)18-37)29(38)34-27-14-25(23(15-30)16-32-27)31-8-11-40-24-6-2-3-7-24/h13-14,16,18,20,24H,2-12,17,19H2,1H3,(H2,31,32,34,38)
• InChIKey: FPGWQQJNJWFWKP-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 132.71 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	547.66
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 139465574) is N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC1COCCN1Cc1cc2c(nc1C=O)N(C(=O)Nc1cc(NCCOC3CCCC3)c(C#N)cn1)CCC2.

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

The InChIKey is FPGWQQJNJWFWKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N7O4/c1-20-19-39-12-10-35(20)17-22-13-21-5-4-9-36(28(21)33-26(22)18-37)29(38)34-27-14-25(23(15-30)16-32-27)31-8-11-40-24-6-2-3-7-24/h13-14,16,18,20,24H,2-12,17,19H2,1H3,(H2,31,32,34,38).

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

N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 547.66 g/mol, XLogP of 3.74, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(2-cyclopentyloxyethylamino)-2-pyridinyl]-7-formyl-6-[(3-methylmorpholin-4-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 139465574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).