N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide

C14H15N3O — CID 55037245

IUPACN-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(N)c(NC(=O)c2ccccn2)cc1C
InChIInChI=1S/C14H15N3O/c1-9-7-11(15)13(8-10(9)2)17-14(18)12-5-3-4-6-16-12/h3-8H,15H2,1-2H3,(H,17,18)
InChIKeyKIRBKQNBVXIBAZ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.53
Rot. Bonds2

About N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide

N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide (PubChem CID 55037245) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
PubChem CID55037245
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide
SMILESCc1cc(N)c(NC(=O)c2ccccn2)cc1C
InChIInChI=1S/C14H15N3O/c1-9-7-11(15)13(8-10(9)2)17-14(18)12-5-3-4-6-16-12/h3-8H,15H2,1-2H3,(H,17,18)
InChIKeyKIRBKQNBVXIBAZ-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
N-(2-amino-4-methylphenyl)pyridine-2-carboxamide
CID 43259115
N-(3-amino-4-methylphenyl)pyridine-2-carboxamide
CID 24707912
N-(6-amino-1,3-benzodioxol-5-yl)pyridine-2-carboxamide
CID 43548362
methyl 4-amino-3-(pyridine-2-carbonylamino)benzoate
CID 110481979
N-[4,5-dimethoxy-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 102266460
N-[4-methyl-2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide
CID 4867706
N-[2-(pyridine-2-carbonylamino)phenyl]pyridine-2-carboxamide;ruthenium(2+);dichloride
CID 46845295
N-[2-amino-4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 16777614
N-(2-bromo-5-chloro-4-methylphenyl)pyridine-2-carboxamide
CID 113445582
4-methyl-3-(pyridine-2-carbonylamino)benzoic acid
CID 16771811
N-[4-(3-aminoprop-1-ynyl)-2-methylphenyl]pyridine-2-carboxamide
CID 60813372

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide (CID 55037245) is N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide is Cc1cc(N)c(NC(=O)c2ccccn2)cc1C.
What is the InChIKey of N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide?
The InChIKey is KIRBKQNBVXIBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-9-7-11(15)13(8-10(9)2)17-14(18)12-5-3-4-6-16-12/h3-8H,15H2,1-2H3,(H,17,18).
What are the key properties of N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide?
N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.53, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-4,5-dimethylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 55037245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).