N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide

C25H31ClN4O2 — CID 90205327

IUPACN-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CN3CCN(C(=O)C4CCCC4)C(C)C3)c2Cl)cn1
InChIInChI=1S/C25H31ClN4O2/c1-17-10-11-20(14-27-17)24(31)28-22-9-5-8-21(23(22)26)16-29-12-13-30(18(2)15-29)25(32)19-6-3-4-7-19/h5,8-11,14,18-19H,3-4,6-7,12-13,15-16H2,1-2H3,(H,28,31)
InChIKeyIOZFRKTUEYQSGG-UHFFFAOYSA-N
MW455.00 g/mol
LogP4.52
Rot. Bonds5

About N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide

N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide (PubChem CID 90205327) has the molecular formula C25H31ClN4O2 and a molecular weight of 455.00 g/mol. Its IUPAC name is N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
PubChem CID90205327
Molecular FormulaC25H31ClN4O2
Molecular Weight455.00 g/mol
Exact Mass454.21
IUPAC NameN-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)Nc2cccc(CN3CCN(C(=O)C4CCCC4)C(C)C3)c2Cl)cn1
InChIInChI=1S/C25H31ClN4O2/c1-17-10-11-20(14-27-17)24(31)28-22-9-5-8-21(23(22)26)16-29-12-13-30(18(2)15-29)25(32)19-6-3-4-7-19/h5,8-11,14,18-19H,3-4,6-7,12-13,15-16H2,1-2H3,(H,28,31)
InChIKeyIOZFRKTUEYQSGG-UHFFFAOYSA-N
XLogP4.52
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.00
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-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-[8-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-7-methyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl]-6-methylpyridine-3-carboxamide
CID 155563358
5-N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 140797070
N-[5-chloro-2-methyl-3-[[(3S)-3-methyl-4-[(3R)-oxolane-3-carbonyl]piperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide
CID 118550238
N-[5-fluoro-3-[[4-(3-fluoro-3-methylcyclobutanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 90205340
4-[[5-chloro-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-N-(cyclopropylmethyl)-2-methylpiperazine-1-carboxamide
CID 129072146
(2S)-4-[[5-chloro-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-N-(cyclopropylmethyl)-2-methylpiperazine-1-carboxamide
CID 118542405
cyclopentyl 4-[[5-cyano-2-methyl-3-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]-2-methylpiperazine-1-carboxylate
CID 118542403
N-[3-[[(3S)-4-benzoyl-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-6-methylpyridine-3-carboxamide
CID 90204353
N-[5-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-2-methylphenyl]-2-cyanopyridine-4-carboxamide
CID 118541235
N-[3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-2,6-dimethylbenzamide
CID 90204764
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-5-fluoro-2-methylphenyl]-3-methoxybenzamide
CID 118452243
N-[3-[[(3S)-4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]-4-fluoro-2-methylphenyl]-1-methylpyrazole-3-carboxamide
CID 90204623

Frequently Asked Questions

What is the IUPAC name of N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The IUPAC name of N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide (CID 90205327) is N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide.
What is the SMILES notation for N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The canonical SMILES for N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide is Cc1ccc(C(=O)Nc2cccc(CN3CCN(C(=O)C4CCCC4)C(C)C3)c2Cl)cn1.
What is the InChIKey of N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
The InChIKey is IOZFRKTUEYQSGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31ClN4O2/c1-17-10-11-20(14-27-17)24(31)28-22-9-5-8-21(23(22)26)16-29-12-13-30(18(2)15-29)25(32)19-6-3-4-7-19/h5,8-11,14,18-19H,3-4,6-7,12-13,15-16H2,1-2H3,(H,28,31).
What are the key properties of N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide?
N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide has a molecular weight of 455.00 g/mol, XLogP of 4.52, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-chloro-3-[[4-(cyclopentanecarbonyl)-3-methylpiperazin-1-yl]methyl]phenyl]-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 90205327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).