N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C56H62N14O6 — CID 165009854

About N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 165009854) has the molecular formula C56H62N14O6 and a molecular weight of 1027.20 g/mol. Its IUPAC name is N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 165009854
• Molecular Formula: C56H62N14O6
• Molecular Weight: 1027.20 g/mol
• Exact Mass: 1026.50
• IUPAC Name: N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CC5CCCN5CC4=O)c(C=O)nc32)cc1CC1CC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCN5CCCC5C4=O)c(C=O)nc32)cc1CC1CC1
• InChI: InChI=1S/2C28H31N7O3/c29-12-22-13-30-25(11-20(22)9-18-5-6-18)32-28(38)35-8-1-3-19-10-21(24(17-36)31-27(19)35)14-34-15-23-4-2-7-33(23)16-26(34)37;29-14-22-15-30-25(13-20(22)11-18-5-6-18)32-28(38)35-8-1-3-19-12-21(23(17-36)31-26(19)35)16-34-10-9-33-7-2-4-24(33)27(34)37/h10-11,13,17-18,23H,1-9,14-16H2,(H,30,32,38);12-13,15,17-18,24H,1-11,16H2,(H,30,32,38)
• InChIKey: JNMWFEBSKGAILC-UHFFFAOYSA-N
• XLogP: 5.81
• TPSA: 245.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 12
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1027.20
LogP ≤ 5	5.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 165009854) is N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CC5CCCN5CC4=O)c(C=O)nc32)cc1CC1CC1.N#Cc1cnc(NC(=O)N2CCCc3cc(CN4CCN5CCCC5C4=O)c(C=O)nc32)cc1CC1CC1.

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

The InChIKey is JNMWFEBSKGAILC-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H31N7O3/c29-12-22-13-30-25(11-20(22)9-18-5-6-18)32-28(38)35-8-1-3-19-10-21(24(17-36)31-27(19)35)14-34-15-23-4-2-7-33(23)16-26(34)37;29-14-22-15-30-25(13-20(22)11-18-5-6-18)32-28(38)35-8-1-3-19-12-21(23(17-36)31-26(19)35)16-34-10-9-33-7-2-4-24(33)27(34)37/h10-11,13,17-18,23H,1-9,14-16H2,(H,30,32,38);12-13,15,17-18,24H,1-11,16H2,(H,30,32,38).

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

N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 1027.20 g/mol, XLogP of 5.81, 12 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(1-oxo-3,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide;N-[5-cyano-4-(cyclopropylmethyl)-2-pyridinyl]-7-formyl-6-[(3-oxo-1,4,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazin-2-yl)methyl]-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 165009854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).