N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide

C20H23ClN4O2 — CID 109084484

IUPACN-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2ccnc(C(=O)Nc3cccc(Cl)c3C)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-3-24-9-11-25(12-10-24)20(27)15-7-8-22-18(13-15)19(26)23-17-6-4-5-16(21)14(17)2/h4-8,13H,3,9-12H2,1-2H3,(H,23,26)
InChIKeyGKODMHLDEKJVNV-UHFFFAOYSA-N
MW386.88 g/mol
LogP3.07
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide

N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109084484) has the molecular formula C20H23ClN4O2 and a molecular weight of 386.88 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109084484
Molecular FormulaC20H23ClN4O2
Molecular Weight386.88 g/mol
Exact Mass386.15
IUPAC NameN-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
SMILESCCN1CCN(C(=O)c2ccnc(C(=O)Nc3cccc(Cl)c3C)c2)CC1
InChIInChI=1S/C20H23ClN4O2/c1-3-24-9-11-25(12-10-24)20(27)15-7-8-22-18(13-15)19(26)23-17-6-4-5-16(21)14(17)2/h4-8,13H,3,9-12H2,1-2H3,(H,23,26)
InChIKeyGKODMHLDEKJVNV-UHFFFAOYSA-N
XLogP3.07
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.88
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-ethylpiperazine-1-carbonyl)-N-phenylpyridine-2-carboxamide
CID 109084455
N-(3-chloro-2-methylphenyl)-2-(4-ethylpiperazin-1-yl)pyrimidine-4-carboxamide
CID 109302460
N-(2-chlorophenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080420
N-(3-chloro-2-methylphenyl)-2-(4-methylpiperidine-1-carbonyl)pyridine-4-carboxamide
CID 109081888
4-(4-ethylpiperazine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109084521
N-(2,3-dimethylphenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084687
2-(4-ethylpiperazine-1-carbonyl)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109084621
N-(2-methylphenyl)-4-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109080395
N-(3-chloro-2-methylphenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203910
2-N-(3-chloro-2-methylphenyl)-4-N,4-N-dipropylpyridine-2,4-dicarboxamide
CID 109090481
N-(2-chlorophenyl)-4-(4-formylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084701
N-(4-ethoxyphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide
CID 109084493

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide (CID 109084484) is N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide is CCN1CCN(C(=O)c2ccnc(C(=O)Nc3cccc(Cl)c3C)c2)CC1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is GKODMHLDEKJVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O2/c1-3-24-9-11-25(12-10-24)20(27)15-7-8-22-18(13-15)19(26)23-17-6-4-5-16(21)14(17)2/h4-8,13H,3,9-12H2,1-2H3,(H,23,26).
What are the key properties of N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide?
N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 386.88 g/mol, XLogP of 3.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-methylphenyl)-4-(4-ethylpiperazine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109084484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).