N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

C18H21ClN4O — CID 109230650

IUPACN-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3ccccc3Cl)c2)CC1
InChIInChI=1S/C18H21ClN4O/c1-2-22-7-9-23(10-8-22)15-11-14(12-20-13-15)18(24)21-17-6-4-3-5-16(17)19/h3-6,11-13H,2,7-10H2,1H3,(H,21,24)
InChIKeyZVKFBEAHAVCODI-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.13
Rot. Bonds4

About N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109230650) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109230650
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2cncc(C(=O)Nc3ccccc3Cl)c2)CC1
InChIInChI=1S/C18H21ClN4O/c1-2-22-7-9-23(10-8-22)15-11-14(12-20-13-15)18(24)21-17-6-4-3-5-16(17)19/h3-6,11-13H,2,7-10H2,1H3,(H,21,24)
InChIKeyZVKFBEAHAVCODI-UHFFFAOYSA-N
XLogP3.13
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-5-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230953
N-(2-chlorophenyl)-5-(4-pyrimidin-2-ylpiperazin-1-yl)pyridine-3-carboxamide
CID 109238742
N-(3,4-dichlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230698
5-(4-ethylpiperazin-1-yl)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109230694
5-(4-ethylpiperazin-1-yl)-N-(2,3,4-trifluorophenyl)pyridine-3-carboxamide
CID 109230711
N-(3-cyanophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109230708
N-(2,5-dichlorophenyl)-5-pyrrolidin-1-ylpyridine-3-carboxamide
CID 109225862
5-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-3-carboxamide
CID 109230669
5-(4-ethylpiperazin-1-yl)-N-(2-methylpropyl)pyridine-3-carboxamide
CID 109224744
N-[4-amino-2-chloro-5-(4-ethylpiperazin-1-yl)phenyl]benzamide
CID 50881129
5-N-(2-chlorophenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101245
5-(4-ethylpiperazin-1-yl)-N-prop-2-enylpyridine-3-carboxamide
CID 109223965

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (CID 109230650) is N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2cncc(C(=O)Nc3ccccc3Cl)c2)CC1.
What is the InChIKey of N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is ZVKFBEAHAVCODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-2-22-7-9-23(10-8-22)15-11-14(12-20-13-15)18(24)21-17-6-4-3-5-16(17)19/h3-6,11-13H,2,7-10H2,1H3,(H,21,24).
What are the key properties of N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-5-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109230650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).