N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide

C20H25ClN4O — CID 123950096

IUPACN-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccc(N3CC(C)NC(C)C3)nc2)ccc1Cl
InChIInChI=1S/C20H25ClN4O/c1-4-15-9-17(6-7-18(15)21)24-20(26)16-5-8-19(22-10-16)25-11-13(2)23-14(3)12-25/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,24,26)
InChIKeyDCLVHONZZMIQQX-UHFFFAOYSA-N
MW372.90 g/mol
LogP3.74
Rot. Bonds4

About N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide

N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 123950096) has the molecular formula C20H25ClN4O and a molecular weight of 372.90 g/mol. Its IUPAC name is N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID123950096
Molecular FormulaC20H25ClN4O
Molecular Weight372.90 g/mol
Exact Mass372.17
IUPAC NameN-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccc(N3CC(C)NC(C)C3)nc2)ccc1Cl
InChIInChI=1S/C20H25ClN4O/c1-4-15-9-17(6-7-18(15)21)24-20(26)16-5-8-19(22-10-16)25-11-13(2)23-14(3)12-25/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,24,26)
InChIKeyDCLVHONZZMIQQX-UHFFFAOYSA-N
XLogP3.74
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 59826576
6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 146153254
N-(2-aminophenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide
CID 69085241
N-[4-chloro-3-(trifluoromethyl)phenyl]-6-(4-methylpiperidin-1-yl)pyridine-3-carboxamide
CID 109152591
N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-4-iodo-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 170125191
6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide
CID 143465750
N-(4-chloro-3-quinoxalin-2-ylphenyl)-6-(2,6-dimethylmorpholin-4-yl)pyridine-3-carboxamide
CID 59826586
N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 69262675
4-N-(6-amino-3-pyridinyl)-1-N-(4-chloro-3-pyridin-2-ylphenyl)benzene-1,4-dicarboxamide;N-(4-chloro-3-pyridin-2-ylphenyl)-6-[(3S,5R)-3,5-dimethylpiperazin-1-yl]pyridine-3-carboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-(6-methoxy-3-pyridinyl)benzene-1,4-dicarboxamide;1-N-(4-chloro-3-pyridin-2-ylphenyl)-4-N-pyridin-3-ylbenzene-1,4-dicarboxamide
CID 160637642
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide
CID 91180810
N-[4-chloro-3-(1,5-dimethylimidazol-2-yl)phenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 71025382

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide (CID 123950096) is N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide is CCc1cc(NC(=O)c2ccc(N3CC(C)NC(C)C3)nc2)ccc1Cl.
What is the InChIKey of N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is DCLVHONZZMIQQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN4O/c1-4-15-9-17(6-7-18(15)21)24-20(26)16-5-8-19(22-10-16)25-11-13(2)23-14(3)12-25/h5-10,13-14,23H,4,11-12H2,1-3H3,(H,24,26).
What are the key properties of N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 372.90 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-ethylphenyl)-6-(3,5-dimethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 123950096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).