N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C26H31N7O4 — CID 118037046

About N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118037046) has the molecular formula C26H31N7O4 and a molecular weight of 505.58 g/mol. Its IUPAC name is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118037046
• Molecular Formula: C26H31N7O4
• Molecular Weight: 505.58 g/mol
• Exact Mass: 505.24
• IUPAC Name: N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C26H31N7O4/c1-16(2)37-22-10-23(28-12-19(22)11-27)30-26(36)33-7-5-6-17-8-18(21(15-34)29-25(17)33)13-32-14-20(31(3)4)9-24(32)35/h8,10,12,15-16,20H,5-7,9,13-14H2,1-4H3,(H,28,30,36)/t20-/m1/s1
• InChIKey: GPGNPGKAXJLDHF-HXUWFJFHSA-N
• XLogP: 2.60
• TPSA: 131.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.58
LogP ≤ 5	2.60
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118037046) is N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CC(C)Oc1cc(NC(=O)N2CCCc3cc(CN4C[C@H](N(C)C)CC4=O)c(C=O)nc32)ncc1C#N.

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

The InChIKey is GPGNPGKAXJLDHF-HXUWFJFHSA-N. The full InChI is InChI=1S/C26H31N7O4/c1-16(2)37-22-10-23(28-12-19(22)11-27)30-26(36)33-7-5-6-17-8-18(21(15-34)29-25(17)33)13-32-14-20(31(3)4)9-24(32)35/h8,10,12,15-16,20H,5-7,9,13-14H2,1-4H3,(H,28,30,36)/t20-/m1/s1.

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

N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 505.58 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-(5-cyano-4-propan-2-yloxy-2-pyridinyl)-6-[[(4R)-4-(dimethylamino)-2-oxopyrrolidin-1-yl]methyl]-7-formyl-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118037046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).