N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

C31H39N5O — CID 160817257

About N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide

N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 160817257) has the molecular formula C31H39N5O and a molecular weight of 497.69 g/mol. Its IUPAC name is N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

• Compound Name: N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
• PubChem CID: 160817257
• Molecular Formula: C31H39N5O
• Molecular Weight: 497.69 g/mol
• Exact Mass: 497.32
• IUPAC Name: N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide
• SMILES: CC1C=C(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)CCN1C(=O)NC1CCC1
• InChI: InChI=1S/C31H39N5O/c1-22-18-25(12-13-36(22)31(37)33-27-4-3-5-27)28-10-11-30-29(28)19-26(20-32-30)24-8-6-23(7-9-24)21-35-16-14-34(2)15-17-35/h6-10,18-20,22,27H,3-5,11-17,21H2,1-2H3,(H,33,37)
• InChIKey: SFBGFVPGNWXWIU-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 51.71 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.69
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The IUPAC name of N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide (CID 160817257) is N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide.

What is the SMILES notation for N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The canonical SMILES for N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is CC1C=C(C2=CCc3ncc(-c4ccc(CN5CCN(C)CC5)cc4)cc32)CCN1C(=O)NC1CCC1.

What is the InChIKey of N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

The InChIKey is SFBGFVPGNWXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H39N5O/c1-22-18-25(12-13-36(22)31(37)33-27-4-3-5-27)28-10-11-30-29(28)19-26(20-32-30)24-8-6-23(7-9-24)21-35-16-14-34(2)15-17-35/h6-10,18-20,22,27H,3-5,11-17,21H2,1-2H3,(H,33,37).

What are the key properties of N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide?

N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 497.69 g/mol, XLogP of 4.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclobutyl-6-methyl-4-[3-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-7H-cyclopenta[b]pyridin-5-yl]-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 160817257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).