5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide

C19H23ClN4O — CID 109179502

IUPAC5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C19H23ClN4O/c1-14(2)22-19(25)18-7-6-17(13-21-18)24-10-8-23(9-11-24)16-5-3-4-15(20)12-16/h3-7,12-14H,8-11H2,1-2H3,(H,22,25)
InChIKeyYUKMZMCTFBWPRZ-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.20
Rot. Bonds4

About 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide

5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109179502) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109179502
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC Name5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)NC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cn1
InChIInChI=1S/C19H23ClN4O/c1-14(2)22-19(25)18-7-6-17(13-21-18)24-10-8-23(9-11-24)16-5-3-4-15(20)12-16/h3-7,12-14H,8-11H2,1-2H3,(H,22,25)
InChIKeyYUKMZMCTFBWPRZ-UHFFFAOYSA-N
XLogP3.20
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.87
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109338891
5-[4-(4-fluorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179488
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylbenzamide
CID 109043128
[4-(3-chlorophenyl)piperazin-1-yl]-(5-morpholin-4-yl-2-pyridinyl)methanone
CID 109184792
5-(4-piperidin-1-ylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109179591
4-[4-(3-chlorophenyl)piperazine-1-carbonyl]-N-propan-2-ylcyclohexane-1-carboxamide
CID 109144515
5-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide
CID 109179498
N-(4-chlorophenyl)-5-(4-phenylpiperazin-1-yl)pyridine-2-carboxamide
CID 109193461
N-[2,6-di(propan-2-yl)phenyl]-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186575
N-tert-butyl-5-[4-(3-chlorophenyl)piperazin-1-yl]pyrazine-2-carboxamide
CID 109286468
N-(1-phenylethyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 109188874
N-[5-[4-(3-chlorophenyl)piperazin-1-yl]-2-pyridinyl]cyclohexanecarboxamide
CID 113029443

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide (CID 109179502) is 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is CC(C)NC(=O)c1ccc(N2CCN(c3cccc(Cl)c3)CC2)cn1.
What is the InChIKey of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is YUKMZMCTFBWPRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-14(2)22-19(25)18-7-6-17(13-21-18)24-10-8-23(9-11-24)16-5-3-4-15(20)12-16/h3-7,12-14H,8-11H2,1-2H3,(H,22,25).
What are the key properties of 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide?
5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3-chlorophenyl)piperazin-1-yl]-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109179502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).