N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide

C25H32N4O2 — CID 68739288

IUPACN-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(N2CCN(C(=O)C3CC3c3ccccc3)CC2)nc1
InChIInChI=1S/C25H32N4O2/c1-3-7-18(2)27-24(30)20-10-11-23(26-17-20)28-12-14-29(15-13-28)25(31)22-16-21(22)19-8-5-4-6-9-19/h4-6,8-11,17-18,21-22H,3,7,12-16H2,1-2H3,(H,27,30)
InChIKeyKHBFCAAACCKURQ-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.45
Rot. Bonds7

About N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide

N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 68739288) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID68739288
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC NameN-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCCCC(C)NC(=O)c1ccc(N2CCN(C(=O)C3CC3c3ccccc3)CC2)nc1
InChIInChI=1S/C25H32N4O2/c1-3-7-18(2)27-24(30)20-10-11-23(26-17-20)28-12-14-29(15-13-28)25(31)22-16-21(22)19-8-5-4-6-9-19/h4-6,8-11,17-18,21-22H,3,7,12-16H2,1-2H3,(H,27,30)
InChIKeyKHBFCAAACCKURQ-UHFFFAOYSA-N
XLogP3.45
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-pentan-2-yl-6-[4-(thiophene-2-carbonyl)piperazin-1-yl]pyridine-3-carboxamide
CID 68737088
6-[4-(2-naphthalen-2-ylacetyl)piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 68738298
6-[4-[2-[4-[(1S)-cyclobut-2-en-1-yl]piperazin-1-yl]-2-oxoethyl]piperazin-1-yl]-N-pentan-2-ylpyridine-3-carboxamide
CID 143404324
6-(9-cyclobutyl-3,9-diazaspiro[5.5]undecan-3-yl)-N-pentan-2-ylpyridine-3-carboxamide
CID 59818775
6-[4-[2-(4-chlorophenyl)propanoyl]piperazin-1-yl]-N-(4-phenylbutan-2-yl)pyridine-3-carboxamide
CID 68737824
N-propan-2-yl-6-(4-propylpiperazin-1-yl)pyridine-3-carboxamide
CID 168923141
[4-(6-methylpyridazin-3-yl)-1,4-diazepan-1-yl]-[(1R,2S)-2-phenylcyclopropyl]methanone
CID 97006519
N-(6-methylheptan-2-yl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 46515997
N-butan-2-yl-4-(4-pyridin-2-ylpiperazine-1-carbonyl)benzamide
CID 109044082
6-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-N-(4-methylpentan-2-yl)pyridine-3-carboxamide
CID 87555935
N-propan-2-yl-6-(4-propan-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 901299
(2-phenylcyclopropyl)-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110420007

Frequently Asked Questions

What is the IUPAC name of N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide (CID 68739288) is N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide is CCCC(C)NC(=O)c1ccc(N2CCN(C(=O)C3CC3c3ccccc3)CC2)nc1.
What is the InChIKey of N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is KHBFCAAACCKURQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-3-7-18(2)27-24(30)20-10-11-23(26-17-20)28-12-14-29(15-13-28)25(31)22-16-21(22)19-8-5-4-6-9-19/h4-6,8-11,17-18,21-22H,3,7,12-16H2,1-2H3,(H,27,30).
What are the key properties of N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide?
N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 420.56 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-pentan-2-yl-6-[4-(2-phenylcyclopropanecarbonyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 68739288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).