N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide

C23H29N7O4 — CID 118036782

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

N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (PubChem CID 118036782) has the molecular formula C23H29N7O4 and a molecular weight of 467.53 g/mol. Its IUPAC name is N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• PubChem CID: 118036782
• Molecular Formula: C23H29N7O4
• Molecular Weight: 467.53 g/mol
• Exact Mass: 467.23
• IUPAC Name: N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide
• SMILES: CN(C)CC(C)(O)CNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N
• InChI: InChI=1S/C23H29N7O4/c1-23(34,14-29(2)3)13-26-18-8-20(25-10-17(18)9-24)28-22(33)30-6-4-5-15-7-16(11-31)19(12-32)27-21(15)30/h7-8,10,12,31,34H,4-6,11,13-14H2,1-3H3,(H2,25,26,28,33)
• InChIKey: UMCGEVIWTWEHBE-UHFFFAOYSA-N
• XLogP: 1.36
• TPSA: 154.71 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	467.53
LogP ≤ 5	1.36
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide (CID 118036782) is N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-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-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide?

The canonical SMILES for N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is CN(C)CC(C)(O)CNc1cc(NC(=O)N2CCCc3cc(CO)c(C=O)nc32)ncc1C#N.

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

The InChIKey is UMCGEVIWTWEHBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N7O4/c1-23(34,14-29(2)3)13-26-18-8-20(25-10-17(18)9-24)28-22(33)30-6-4-5-15-7-16(11-31)19(12-32)27-21(15)30/h7-8,10,12,31,34H,4-6,11,13-14H2,1-3H3,(H2,25,26,28,33).

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

N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 1.36, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-cyano-4-[[3-(dimethylamino)-2-hydroxy-2-methylpropyl]amino]-2-pyridinyl]-7-formyl-6-(hydroxymethyl)-3,4-dihydro-2H-1,8-naphthyridine-1-carboxamide is sourced from PubChem (CID 118036782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).