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

C19H23ClN4O — CID 109168773

IUPACN-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(Cl)cc3C)ccn2)CC1
InChIInChI=1S/C19H23ClN4O/c1-3-23-8-10-24(11-9-23)18-13-15(6-7-21-18)19(25)22-17-5-4-16(20)12-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyVTZXGQPZJCGXMH-UHFFFAOYSA-N
MW358.87 g/mol
LogP3.44
Rot. Bonds4

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

N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide (PubChem CID 109168773) has the molecular formula C19H23ClN4O and a molecular weight of 358.87 g/mol. Its IUPAC name is N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
PubChem CID109168773
Molecular FormulaC19H23ClN4O
Molecular Weight358.87 g/mol
Exact Mass358.16
IUPAC NameN-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide
SMILESCCN1CCN(c2cc(C(=O)Nc3ccc(Cl)cc3C)ccn2)CC1
InChIInChI=1S/C19H23ClN4O/c1-3-23-8-10-24(11-9-23)18-13-15(6-7-21-18)19(25)22-17-5-4-16(20)12-14(17)2/h4-7,12-13H,3,8-11H2,1-2H3,(H,22,25)
InChIKeyVTZXGQPZJCGXMH-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

N-(4-chloro-2-methylphenyl)-5-(4-ethylpiperazin-1-yl)pyridine-2-carboxamide
CID 109186847
ethyl 2-[[2-(4-ethylpiperazin-1-yl)pyridine-4-carbonyl]amino]benzoate
CID 109168819
N-(4-hydroxy-2-methylphenyl)-2-(4-methylpiperazin-1-yl)pyridine-4-carboxamide
CID 84573364
2-(4-ethylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyridine-4-carboxamide
CID 109168802
N-(4-chloro-2-methylphenyl)-2-(2,3-dihydroindol-1-yl)pyridine-4-carboxamide
CID 109176466
2-(4-ethylpiperazin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-4-carboxamide
CID 109168800
1-(4-chlorophenyl)-N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]pyrazole-4-carboxamide
CID 55773781
N-(2,5-dichlorophenyl)-2-piperidin-1-ylpyridine-4-carboxamide
CID 109166252
2-(4-ethylpiperazin-1-yl)-N-(4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 109168784
N-(4-chloro-2-methylphenyl)-2-methoxypyridine-4-carboxamide
CID 110859208
4-N-butan-2-yl-2-N-(4-chloro-2-methylphenyl)pyridine-2,4-dicarboxamide
CID 109080050
N-[4-(4-ethylpiperazin-1-yl)-2-methylphenyl]-3-fluoro-4-methylbenzamide
CID 36566549

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide?
The IUPAC name of N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide (CID 109168773) is N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide?
The canonical SMILES for N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide is CCN1CCN(c2cc(C(=O)Nc3ccc(Cl)cc3C)ccn2)CC1.
What is the InChIKey of N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide?
The InChIKey is VTZXGQPZJCGXMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN4O/c1-3-23-8-10-24(11-9-23)18-13-15(6-7-21-18)19(25)22-17-5-4-16(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)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide?
N-(4-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyridine-4-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)-2-(4-ethylpiperazin-1-yl)pyridine-4-carboxamide is sourced from PubChem (CID 109168773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).