N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

C26H24N6O — CID 133316321

About N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide

N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (PubChem CID 133316321) has the molecular formula C26H24N6O and a molecular weight of 436.52 g/mol. Its IUPAC name is N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
• PubChem CID: 133316321
• Molecular Formula: C26H24N6O
• Molecular Weight: 436.52 g/mol
• Exact Mass: 436.20
• IUPAC Name: N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide
• SMILES: CN(C(=O)c1ccncc1)c1ccc(CNc2nc(-c3ccncc3)nc3c2CCC3)cc1
• InChI: InChI=1S/C26H24N6O/c1-32(26(33)20-11-15-28-16-12-20)21-7-5-18(6-8-21)17-29-25-22-3-2-4-23(22)30-24(31-25)19-9-13-27-14-10-19/h5-16H,2-4,17H2,1H3,(H,29,30,31)
• InChIKey: BOMUWRJKDKVZAO-UHFFFAOYSA-N
• XLogP: 4.31
• TPSA: 83.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.52
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?

The IUPAC name of N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide (CID 133316321) is N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide.

What is the SMILES notation for N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?

The canonical SMILES for N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is CN(C(=O)c1ccncc1)c1ccc(CNc2nc(-c3ccncc3)nc3c2CCC3)cc1.

What is the InChIKey of N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?

The InChIKey is BOMUWRJKDKVZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O/c1-32(26(33)20-11-15-28-16-12-20)21-7-5-18(6-8-21)17-29-25-22-3-2-4-23(22)30-24(31-25)19-9-13-27-14-10-19/h5-16H,2-4,17H2,1H3,(H,29,30,31).

What are the key properties of N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide?

N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide has a molecular weight of 436.52 g/mol, XLogP of 4.31, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[4-[[(2-pyridin-4-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenyl]pyridine-4-carboxamide is sourced from PubChem (CID 133316321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).