N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

C19H24N4O — CID 86986479

IUPACN-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H24N4O/c1-3-16-6-4-5-15(2)18(16)21-19(24)23-13-11-22(12-14-23)17-7-9-20-10-8-17/h4-10H,3,11-14H2,1-2H3,(H,21,24)
InChIKeyZKFMJIPDDJQFJP-UHFFFAOYSA-N
MW324.43 g/mol
LogP3.31
Rot. Bonds3

About N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide

N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (PubChem CID 86986479) has the molecular formula C19H24N4O and a molecular weight of 324.43 g/mol. Its IUPAC name is N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
PubChem CID86986479
Molecular FormulaC19H24N4O
Molecular Weight324.43 g/mol
Exact Mass324.20
IUPAC NameN-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
SMILESCCc1cccc(C)c1NC(=O)N1CCN(c2ccncc2)CC1
InChIInChI=1S/C19H24N4O/c1-3-16-6-4-5-15(2)18(16)21-19(24)23-13-11-22(12-14-23)17-7-9-20-10-8-17/h4-10H,3,11-14H2,1-2H3,(H,21,24)
InChIKeyZKFMJIPDDJQFJP-UHFFFAOYSA-N
XLogP3.31
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-ethyl-6-methylphenyl)-1-pyridin-4-ylpiperidine-4-carboxamide
CID 46384738
N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 82086576
4-butyl-N-(2-ethyl-6-methylphenyl)piperazine-1-carboxamide
CID 113103802
N-[3-(butanoylamino)-2-methylphenyl]-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47750340
N-(4-ethyl-1,3-dimethylpyrazol-5-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 72938073
N-propyl-4-pyridin-4-ylpiperazine-1-carboxamide
CID 47117590
1-[(2-ethyl-6-methylphenyl)carbamoyl]-3-methylpyrrolidine-3-carboxylic acid
CID 63145953
N-(4-methyl-1,3-thiazol-2-yl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86986799
N-(2-ethyl-6-methylphenyl)-3-hydroxypiperidine-1-carboxamide
CID 47192750
N-(2-chloro-6-methylphenyl)-4-(1-methylpyrazol-4-yl)piperazine-1-carboxamide
CID 86795696
N-(2-methylsulfanylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide
CID 86987118
4-(3-chloro-4-methylphenyl)-N-(2,6-dimethylphenyl)piperazine-1-carboxamide
CID 113111875

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The IUPAC name of N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide (CID 86986479) is N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The canonical SMILES for N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is CCc1cccc(C)c1NC(=O)N1CCN(c2ccncc2)CC1.
What is the InChIKey of N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
The InChIKey is ZKFMJIPDDJQFJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O/c1-3-16-6-4-5-15(2)18(16)21-19(24)23-13-11-22(12-14-23)17-7-9-20-10-8-17/h4-10H,3,11-14H2,1-2H3,(H,21,24).
What are the key properties of N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide?
N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide has a molecular weight of 324.43 g/mol, XLogP of 3.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-6-methylphenyl)-4-pyridin-4-ylpiperazine-1-carboxamide is sourced from PubChem (CID 86986479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).