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

C23H25N5O4 — CID 158505688

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

N-[5-cyano-4-(oxan-4-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 158505688) has the molecular formula C23H25N5O4 and a molecular weight of 435.48 g/mol. Its IUPAC name is N-[5-cyano-4-(oxan-4-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-(oxan-4-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 158505688
• Molecular Formula: C23H25N5O4
• Molecular Weight: 435.48 g/mol
• Exact Mass: 435.19
• IUPAC Name: N-[5-cyano-4-(oxan-4-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)cc1CC1CCOCC1
• InChI: InChI=1S/C23H25N5O4/c24-11-19-12-25-21(10-17(19)8-15-3-6-32-7-4-15)27-23(31)28-5-1-2-16-9-18(13-29)20(14-30)26-22(16)28/h9-10,12,14-15,29H,1-8,13H2,(H,25,27,31)
• InChIKey: HKKZNYPAJZSXIA-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 128.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.48
LogP ≤ 5	2.61
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-(oxan-4-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The IUPAC name of N-[5-cyano-4-(oxan-4-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 158505688) is N-[5-cyano-4-(oxan-4-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-(oxan-4-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-(oxan-4-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)cc1CC1CCOCC1.

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

The InChIKey is HKKZNYPAJZSXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O4/c24-11-19-12-25-21(10-17(19)8-15-3-6-32-7-4-15)27-23(31)28-5-1-2-16-9-18(13-29)20(14-30)26-22(16)28/h9-10,12,14-15,29H,1-8,13H2,(H,25,27,31).

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

N-[5-cyano-4-(oxan-4-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 435.48 g/mol, XLogP of 2.61, 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-(oxan-4-ylmethyl)-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 158505688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).