N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide

C22H24N4O4 — CID 172662468

About N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide

N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide (PubChem CID 172662468) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide
• PubChem CID: 172662468
• Molecular Formula: C22H24N4O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.18
• IUPAC Name: N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide
• SMILES: Cc1ccn(CC2CCCO2)c(=O)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1
• InChI: InChI=1S/C22H24N4O4/c1-14-9-10-26(12-15-6-5-11-30-15)22(29)19(14)21(28)25(2)13-18-23-17-8-4-3-7-16(17)20(27)24-18/h3-4,7-10,15H,5-6,11-13H2,1-2H3,(H,23,24,27)
• InChIKey: HCTSIRJNPQKPHE-UHFFFAOYSA-N
• XLogP: 1.84
• TPSA: 97.29 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide?

The IUPAC name of N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide (CID 172662468) is N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide.

What is the SMILES notation for N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide?

The canonical SMILES for N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide is Cc1ccn(CC2CCCO2)c(=O)c1C(=O)N(C)Cc1nc2ccccc2c(=O)[nH]1.

What is the InChIKey of N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide?

The InChIKey is HCTSIRJNPQKPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-14-9-10-26(12-15-6-5-11-30-15)22(29)19(14)21(28)25(2)13-18-23-17-8-4-3-7-16(17)20(27)24-18/h3-4,7-10,15H,5-6,11-13H2,1-2H3,(H,23,24,27).

What are the key properties of N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide?

N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide has a molecular weight of 408.46 g/mol, XLogP of 1.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N,4-dimethyl-2-oxo-1-(oxolan-2-ylmethyl)-N-[(4-oxo-3H-quinazolin-2-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 172662468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).