N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

C17H19ClN4O — CID 3222631

IUPACN-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-12-2-3-14(18)10-15(12)21-17(23)13-4-8-22(9-5-13)16-11-19-6-7-20-16/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,21,23)
InChIKeyPIYSBYHJDQOOLO-UHFFFAOYSA-N
MW330.82 g/mol
LogP3.29
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide

N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (PubChem CID 3222631) has the molecular formula C17H19ClN4O and a molecular weight of 330.82 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
PubChem CID3222631
Molecular FormulaC17H19ClN4O
Molecular Weight330.82 g/mol
Exact Mass330.12
IUPAC NameN-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)C1CCN(c2cnccn2)CC1
InChIInChI=1S/C17H19ClN4O/c1-12-2-3-14(18)10-15(12)21-17(23)13-4-8-22(9-5-13)16-11-19-6-7-20-16/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,21,23)
InChIKeyPIYSBYHJDQOOLO-UHFFFAOYSA-N
XLogP3.29
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.82
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 3222644
N-(4-fluoro-2-methoxyphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 33284913
3-chloro-5-[(1-pyrazin-2-ylpiperidine-4-carbonyl)amino]benzoic acid
CID 126794812
N-(5-chloro-2-methylphenyl)-4-(pyrrolidine-1-carbonyl)cyclohexane-1-carboxamide
CID 109145686
N-naphthalen-1-yl-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 43815622
N-(5-chloro-2-methylphenyl)-1-(2,2-dimethylpropanoyl)piperidine-4-carboxamide
CID 17224385
N-(2-chloro-1,3-benzothiazol-6-yl)-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 166239062
N-(5-chloro-2-methylphenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]piperidine-4-carboxamide
CID 42160487
N-[2-(3-methoxyphenyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 72929287
N-[4-(methylcarbamoyl)phenyl]-1-pyrazin-2-ylpiperidine-4-carboxamide
CID 38797507
4-amino-N-(5-chloro-2-methylphenyl)cyclohexane-1-carboxamide
CID 54928602
N-(5-chloro-2-methylphenyl)-1-[(2-chloro-3-pyridinyl)sulfonyl]piperidine-4-carboxamide
CID 31079598

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide (CID 3222631) is N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is Cc1ccc(Cl)cc1NC(=O)C1CCN(c2cnccn2)CC1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
The InChIKey is PIYSBYHJDQOOLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O/c1-12-2-3-14(18)10-15(12)21-17(23)13-4-8-22(9-5-13)16-11-19-6-7-20-16/h2-3,6-7,10-11,13H,4-5,8-9H2,1H3,(H,21,23).
What are the key properties of N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide?
N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide has a molecular weight of 330.82 g/mol, XLogP of 3.29, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-1-pyrazin-2-ylpiperidine-4-carboxamide is sourced from PubChem (CID 3222631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).