N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide

C24H28N6O2 — CID 169148545

About N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide

N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide (PubChem CID 169148545) has the molecular formula C24H28N6O2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide
• PubChem CID: 169148545
• Molecular Formula: C24H28N6O2
• Molecular Weight: 432.53 g/mol
• Exact Mass: 432.23
• IUPAC Name: N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide
• SMILES: CNC(=O)c1ccc(N2CC(N3CCC(Cc4nc5ccccc5c(=O)[nH]4)CC3)C2)cn1
• InChI: InChI=1S/C24H28N6O2/c1-25-24(32)21-7-6-17(13-26-21)30-14-18(15-30)29-10-8-16(9-11-29)12-22-27-20-5-3-2-4-19(20)23(31)28-22/h2-7,13,16,18H,8-12,14-15H2,1H3,(H,25,32)(H,27,28,31)
• InChIKey: FUWAEOKWAQXYET-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 94.22 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.53
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide?

The IUPAC name of N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide (CID 169148545) is N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide.

What is the SMILES notation for N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide?

The canonical SMILES for N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CC(N3CCC(Cc4nc5ccccc5c(=O)[nH]4)CC3)C2)cn1.

What is the InChIKey of N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide?

The InChIKey is FUWAEOKWAQXYET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2/c1-25-24(32)21-7-6-17(13-26-21)30-14-18(15-30)29-10-8-16(9-11-29)12-22-27-20-5-3-2-4-19(20)23(31)28-22/h2-7,13,16,18H,8-12,14-15H2,1H3,(H,25,32)(H,27,28,31).

What are the key properties of N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide?

N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide has a molecular weight of 432.53 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[3-[4-[(4-oxo-3H-quinazolin-2-yl)methyl]piperidin-1-yl]azetidin-1-yl]pyridine-2-carboxamide is sourced from PubChem (CID 169148545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).