N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide

C13H12ClN3O2 — CID 20866916

IUPACN-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nccnc2CO)cc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-8-2-3-9(6-10(8)14)17-13(19)12-11(7-18)15-4-5-16-12/h2-6,18H,7H2,1H3,(H,17,19)
InChIKeyIVCGZZISKFTIJP-UHFFFAOYSA-N
MW277.71 g/mol
LogP2.18
Rot. Bonds3

About N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide

N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide (PubChem CID 20866916) has the molecular formula C13H12ClN3O2 and a molecular weight of 277.71 g/mol. Its IUPAC name is N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
PubChem CID20866916
Molecular FormulaC13H12ClN3O2
Molecular Weight277.71 g/mol
Exact Mass277.06
IUPAC NameN-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide
SMILESCc1ccc(NC(=O)c2nccnc2CO)cc1Cl
InChIInChI=1S/C13H12ClN3O2/c1-8-2-3-9(6-10(8)14)17-13(19)12-11(7-18)15-4-5-16-12/h2-6,18H,7H2,1H3,(H,17,19)
InChIKeyIVCGZZISKFTIJP-UHFFFAOYSA-N
XLogP2.18
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.71
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methylphenyl)-3-fluoropyridine-2-carboxamide
CID 110474858
N-(3-chloro-4-methylphenyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 110859289
N-(3-chloro-4-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110756427
N-(3-chloro-4-methylphenyl)-2H-triazole-4-carboxamide
CID 110475458
3-[(3-carboxy-4-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 53270975
3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
3-[(4-carbamoyl-3-chlorophenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 56762366
N-(3-chloro-4-methylphenyl)-3-methoxy-6,7-dimethylquinoxaline-2-carboxamide
CID 50780090
N-(3-chloro-4-methylphenyl)-4-methylbenzamide
CID 710602
N-(3-chloro-4-methylphenyl)-3-methylbenzamide
CID 710448
N-(3-chloro-4-methylphenyl)-6,7-dimethyl-3-propoxyquinoxaline-2-carboxamide
CID 50779973
N-(3-chloro-4-methylphenyl)-2-(propylamino)pyrimidine-4-carboxamide
CID 109294844

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The IUPAC name of N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide (CID 20866916) is N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The canonical SMILES for N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide is Cc1ccc(NC(=O)c2nccnc2CO)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
The InChIKey is IVCGZZISKFTIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O2/c1-8-2-3-9(6-10(8)14)17-13(19)12-11(7-18)15-4-5-16-12/h2-6,18H,7H2,1H3,(H,17,19).
What are the key properties of N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide?
N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide has a molecular weight of 277.71 g/mol, XLogP of 2.18, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methylphenyl)-3-(hydroxymethyl)pyrazine-2-carboxamide is sourced from PubChem (CID 20866916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).