2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide

C21H27ClN4O — CID 109174454

IUPAC2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H27ClN4O/c1-16(2)6-8-24-21(27)17-7-9-23-20(14-17)26-12-10-25(11-13-26)19-5-3-4-18(22)15-19/h3-5,7,9,14-16H,6,8,10-13H2,1-2H3,(H,24,27)
InChIKeyDMHUKGUNAGBGEB-UHFFFAOYSA-N
MW386.93 g/mol
LogP3.84
Rot. Bonds6

About 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide

2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide (PubChem CID 109174454) has the molecular formula C21H27ClN4O and a molecular weight of 386.93 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
PubChem CID109174454
Molecular FormulaC21H27ClN4O
Molecular Weight386.93 g/mol
Exact Mass386.19
IUPAC Name2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide
SMILESCC(C)CCNC(=O)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)c1
InChIInChI=1S/C21H27ClN4O/c1-16(2)6-8-24-21(27)17-7-9-23-20(14-17)26-12-10-25(11-13-26)19-5-3-4-18(22)15-19/h3-5,7,9,14-16H,6,8,10-13H2,1-2H3,(H,24,27)
InChIKeyDMHUKGUNAGBGEB-UHFFFAOYSA-N
XLogP3.84
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.93
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyrimidin-2-amine
CID 112898366
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109151896
N-[(3R)-3-methoxybutyl]-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 97212701
N-(3-methylbutyl)-5-[4-(3-methylphenyl)piperazin-1-yl]pyridine-3-carboxamide
CID 109238422
[2-(azepan-1-yl)-4-pyridinyl]-[4-(3-chlorophenyl)piperazin-1-yl]methanone
CID 109174449
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165662
N-(3-methylbutyl)-4-(4-phenylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109088442
[4-(3-chlorophenyl)piperazin-1-yl]-[2-(4-methylpiperidin-1-yl)-4-pyridinyl]methanone
CID 109166494
6-[4-(3-chlorophenyl)piperazin-1-yl]-N-[2-(dimethylamino)ethyl]pyridine-3-carboxamide
CID 109153889
2-[4-(2-fluorophenyl)piperazin-1-yl]-N-(2-methylpropyl)pyridine-4-carboxamide
CID 109165674
N-[(4-methylphenyl)methyl]-2-(4-phenylpiperazin-1-yl)pyridine-4-carboxamide
CID 109169913
4-[4-(3-chlorophenyl)piperazin-1-yl]-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112923605

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide?
The IUPAC name of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide (CID 109174454) is 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide is CC(C)CCNC(=O)c1ccnc(N2CCN(c3cccc(Cl)c3)CC2)c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide?
The InChIKey is DMHUKGUNAGBGEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27ClN4O/c1-16(2)6-8-24-21(27)17-7-9-23-20(14-17)26-12-10-25(11-13-26)19-5-3-4-18(22)15-19/h3-5,7,9,14-16H,6,8,10-13H2,1-2H3,(H,24,27).
What are the key properties of 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide?
2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide has a molecular weight of 386.93 g/mol, XLogP of 3.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)piperazin-1-yl]-N-(3-methylbutyl)pyridine-4-carboxamide is sourced from PubChem (CID 109174454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).