N-(4-aminophenyl)-6-methylpyridine-2-carboxamide

C13H13N3O — CID 16784436

IUPACN-(4-aminophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(N)cc2)n1
InChIInChI=1S/C13H13N3O/c1-9-3-2-4-12(15-9)13(17)16-11-7-5-10(14)6-8-11/h2-8H,14H2,1H3,(H,16,17)
InChIKeyWKQLXMBNXMYWSG-UHFFFAOYSA-N
MW227.27 g/mol
LogP2.22
Rot. Bonds2

About N-(4-aminophenyl)-6-methylpyridine-2-carboxamide

N-(4-aminophenyl)-6-methylpyridine-2-carboxamide (PubChem CID 16784436) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is N-(4-aminophenyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)-6-methylpyridine-2-carboxamide
PubChem CID16784436
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC NameN-(4-aminophenyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)Nc2ccc(N)cc2)n1
InChIInChI=1S/C13H13N3O/c1-9-3-2-4-12(15-9)13(17)16-11-7-5-10(14)6-8-11/h2-8H,14H2,1H3,(H,16,17)
InChIKeyWKQLXMBNXMYWSG-UHFFFAOYSA-N
XLogP2.22
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

N-(4-iodophenyl)-6-methylpyridine-2-carboxamide
CID 31777667
N-[4-(2-amino-2-oxoethyl)phenyl]-6-methylpyridine-2-carboxamide
CID 39279397
methyl 4-[(6-methylpyridine-2-carbonyl)amino]benzoate
CID 31703569
N-[4-(methanesulfonamido)phenyl]-6-methylpyridine-2-carboxamide
CID 32696107
N-(4-amino-2-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 16785445
N-(5-amino-2-methylphenyl)-6-methylpyridine-2-carboxamide
CID 16781532
6-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 60727200
N-(3-chlorophenyl)-6-methylpyridine-2-carboxamide
CID 31698646
6-methyl-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 38697211
N-(6-bromo-3-pyridinyl)-6-methylpyridine-2-carboxamide
CID 103789394
N-(5-amino-2-methoxyphenyl)-6-methylpyridine-2-carboxamide
CID 16788518
6-methyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyridine-2-carboxamide
CID 32544873

Frequently Asked Questions

What is the IUPAC name of N-(4-aminophenyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)-6-methylpyridine-2-carboxamide (CID 16784436) is N-(4-aminophenyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)Nc2ccc(N)cc2)n1.
What is the InChIKey of N-(4-aminophenyl)-6-methylpyridine-2-carboxamide?
The InChIKey is WKQLXMBNXMYWSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c1-9-3-2-4-12(15-9)13(17)16-11-7-5-10(14)6-8-11/h2-8H,14H2,1H3,(H,16,17).
What are the key properties of N-(4-aminophenyl)-6-methylpyridine-2-carboxamide?
N-(4-aminophenyl)-6-methylpyridine-2-carboxamide has a molecular weight of 227.27 g/mol, XLogP of 2.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 16784436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).