N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

C19H23ClN4O — CID 109186847

IUPACN-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C)nc2)CC1
InChIInChI=1S/C19H23ClN4O/c1-3-23-8-10-24(11-9-23)16-5-7-18(21-13-16)19(25)22-17-6-4-15(20)12-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyUXQCJSBVTKCSBC-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.44
Rot. Bonds4

About N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide

N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (PubChem CID 109186847) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
PubChem CID109186847
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C)nc2)CC1
InChIInChI=1S/C19H23ClN4O/c1-3-23-8-10-24(11-9-23)16-5-7-18(21-13-16)19(25)22-17-6-4-15(20)12-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyUXQCJSBVTKCSBC-UHFFFAOYSA-N
XLogP3.44
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 ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-ethylpiperazin-1-yl)-N-(2-fluorophenyl)pyridine-2-carboxamide
CID 109186840
N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
CID 109168773
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
CID 55773781
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
5-(4-ethylpiperazin-1-yl)-N-(2-methoxyphenyl)pyridine-2-carboxamide
CID 109186854
5-(azepan-1-yl)-N-(2,4-dimethylphenyl)pyridine-2-carboxamide
CID 109196864
N-(2,5-dichlorophenyl)-5-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186586
N-(4-ethylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186830
N-(2,5-dichlorophenyl)-4-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109208689
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-[4-(diethylamino)phenyl]-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186876
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-6-methoxypyridine-3-carboxamide
CID 36566710

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide (CID 109186847) is N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3ccc(Cl)cc3C)nc2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
The InChIKey is UXQCJSBVTKCSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-3-23-8-10-24(11-9-23)16-5-7-18(21-13-16)19(25)22-17-6-4-15(20)12-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25).
What are the key properties of N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide?
N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide has a molecular weight of 358.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109186847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).