N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C22H23N5O4 — CID 158042117

About N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158042117) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 158042117
• Molecular Formula: C22H23N5O4
• Molecular Weight: 421.46 g/mol
• Exact Mass: 421.18
• IUPAC Name: N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: N#Cc1cnc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)cc1CC1CCOC1
• InChI: InChI=1S/C22H23N5O4/c23-9-18-10-24-20(8-16(18)6-14-3-5-31-13-14)26-22(30)27-4-1-2-15-7-17(11-28)19(12-29)25-21(15)27/h7-8,10,12,14,28H,1-6,11,13H2,(H,24,26,30)
• InChIKey: FIMBSGDEEIONQR-UHFFFAOYSA-N
• XLogP: 2.22
• TPSA: 128.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	421.46
LogP ≤ 5	2.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158042117) is N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

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

The canonical SMILES for N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is N#Cc1cnc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)cc1CC1CCOC1.

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

The InChIKey is FIMBSGDEEIONQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O4/c23-9-18-10-24-20(8-16(18)6-14-3-5-31-13-14)26-22(30)27-4-1-2-15-7-17(11-28)19(12-29)25-21(15)27/h7-8,10,12,14,28H,1-6,11,13H2,(H,24,26,30).

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

N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 421.46 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-(oxolan-3-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158042117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).