N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C27H32F2N6O3 — CID 159712977

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

N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 159712977) has the molecular formula C27H32F2N6O3 and a molecular weight of 526.59 g/mol. Its IUPAC name is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 159712977
• Molecular Formula: C27H32F2N6O3
• Molecular Weight: 526.59 g/mol
• Exact Mass: 526.25
• IUPAC Name: N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: COCCCc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)F)CC4)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C27H32F2N6O3/c1-38-11-3-5-19-13-25(31-15-21(19)14-30)33-27(37)35-8-2-4-20-12-22(23(17-36)32-26(20)35)18-6-9-34(10-7-18)16-24(28)29/h12-13,15,17-18,24H,2-11,16H2,1H3,(H,31,33,37)
• InChIKey: MZBPEIJBFAEKPM-UHFFFAOYSA-N
• XLogP: 4.17
• TPSA: 111.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.59
LogP ≤ 5	4.17
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

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-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 159712977) is N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is COCCCc1cc(NC(=O)N2CCCc3cc(C4CCN(CC(F)F)CC4)c(C=O)nc32)ncc1C#N.

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

The InChIKey is MZBPEIJBFAEKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32F2N6O3/c1-38-11-3-5-19-13-25(31-15-21(19)14-30)33-27(37)35-8-2-4-20-12-22(23(17-36)32-26(20)35)18-6-9-34(10-7-18)16-24(28)29/h12-13,15,17-18,24H,2-11,16H2,1H3,(H,31,33,37).

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

N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 526.59 g/mol, XLogP of 4.17, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(3-methoxypropyl)-2-pyridinyl]-6-[1-(2,2-difluoroethyl)piperidin-4-yl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 159712977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).