N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide

C18H21ClN4O — CID 109288825

IUPACN-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cnc(N2CCCC(C)C2)cn1
InChIInChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)17-10-20-16(9-21-17)18(24)22-15-8-14(19)6-5-13(15)2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,22,24)
InChIKeyUBCTVEULLXKGTQ-UHFFFAOYSA-N
MW344.85 g/mol
LogP3.93
Rot. Bonds3

About N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide

N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide (PubChem CID 109288825) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
PubChem CID109288825
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
SMILESCc1ccc(Cl)cc1NC(=O)c1cnc(N2CCCC(C)C2)cn1
InChIInChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)17-10-20-16(9-21-17)18(24)22-15-8-14(19)6-5-13(15)2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,22,24)
InChIKeyUBCTVEULLXKGTQ-UHFFFAOYSA-N
XLogP3.93
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109196455
N-(5-chloro-2-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazine-2-carboxamide
CID 109278343
5-(azepan-1-yl)-N-(2,5-dimethylphenyl)pyrazine-2-carboxamide
CID 109289319
N-(2,6-diethylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide
CID 109288815
5-(azepan-1-yl)-N-(5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 109196885
methyl 3-[[5-(3-methylpiperidin-1-yl)pyrazine-2-carbonyl]amino]benzoate
CID 109288853
N-(5-chloro-2-methylphenyl)-2-(3-methylpiperidin-1-yl)-2-oxoacetamide
CID 47335793
N-(2,5-dichlorophenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312744
N-(5-chloro-2-methylphenyl)-4-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-2-amine
CID 112926082
(2S)-N-(5-chloro-2-methylphenyl)-2-[(3S)-3-methylpiperidin-1-yl]propanamide
CID 9275606
(4-methylpiperidin-1-yl)-[5-(3-methylpiperidin-1-yl)pyrazin-2-yl]methanone
CID 109275074
N-(5-chloro-2-methylphenyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 109112555

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide (CID 109288825) is N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide is Cc1ccc(Cl)cc1NC(=O)c1cnc(N2CCCC(C)C2)cn1.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide?
The InChIKey is UBCTVEULLXKGTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-4-3-7-23(11-12)17-10-20-16(9-21-17)18(24)22-15-8-14(19)6-5-13(15)2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,22,24).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide?
N-(5-chloro-2-methylphenyl)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 3.93, 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)-5-(3-methylpiperidin-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 109288825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).