N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide

C22H28N4O — CID 109152244

IUPACN-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(C(=O)NC4CCCC4)cn3)CC2)c1
InChIInChI=1S/C22H28N4O/c1-17-5-4-8-20(15-17)25-11-13-26(14-12-25)21-10-9-18(16-23-21)22(27)24-19-6-2-3-7-19/h4-5,8-10,15-16,19H,2-3,6-7,11-14H2,1H3,(H,24,27)
InChIKeyVUCWFJYFPUGCTJ-UHFFFAOYSA-N
MW364.49 g/mol
LogP3.39
Rot. Bonds4

About N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide

N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide (PubChem CID 109152244) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
PubChem CID109152244
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC NameN-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
SMILESCc1cccc(N2CCN(c3ccc(C(=O)NC4CCCC4)cn3)CC2)c1
InChIInChI=1S/C22H28N4O/c1-17-5-4-8-20(15-17)25-11-13-26(14-12-25)21-10-9-18(16-23-21)22(27)24-19-6-2-3-7-19/h4-5,8-10,15-16,19H,2-3,6-7,11-14H2,1H3,(H,24,27)
InChIKeyVUCWFJYFPUGCTJ-UHFFFAOYSA-N
XLogP3.39
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109160359
3-methyl-N-[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]benzamide
CID 113014298
N-cyclopentyl-2-[4-(3-methylphenyl)piperazin-1-yl]-2-oxoacetamide
CID 108506027
4-(3-methylphenyl)-N-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]piperazine-1-carboxamide
CID 55793014
N-cyclopropyl-6-[4-(2-hydroxyphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 47016815
N-piperidin-4-yl-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 119386740
N-cyclopropyl-6-[4-(2,6-dimethylphenoxy)piperidin-1-yl]pyridine-3-carboxamide
CID 71891796
N-cyclopropyl-4-[4-(3-methylphenyl)piperazine-1-carbonyl]pyridine-2-carboxamide
CID 109078658
N-cyclopentyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109249567
3-methyl-N-(1-phenylpiperidin-4-yl)benzamide
CID 110735842
N-cyclooctyl-3-methylbenzamide
CID 966011
[6-[4-(3-methylphenyl)piperazin-1-yl]-3-pyridinyl]methanol
CID 61252606

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The IUPAC name of N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide (CID 109152244) is N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The canonical SMILES for N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide is Cc1cccc(N2CCN(c3ccc(C(=O)NC4CCCC4)cn3)CC2)c1.
What is the InChIKey of N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
The InChIKey is VUCWFJYFPUGCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-17-5-4-8-20(15-17)25-11-13-26(14-12-25)21-10-9-18(16-23-21)22(27)24-19-6-2-3-7-19/h4-5,8-10,15-16,19H,2-3,6-7,11-14H2,1H3,(H,24,27).
What are the key properties of N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide?
N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-6-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide is sourced from PubChem (CID 109152244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).