N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide

C15H17N3O — CID 62830418

IUPACN-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(N)cc2)c(C)n1
InChIInChI=1S/C15H17N3O/c1-10-3-8-14(11(2)18-10)15(19)17-9-12-4-6-13(16)7-5-12/h3-8H,9,16H2,1-2H3,(H,17,19)
InChIKeyXXXZJHRHLPZNPD-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.21
Rot. Bonds3

About N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide

N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62830418) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
PubChem CID62830418
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCc2ccc(N)cc2)c(C)n1
InChIInChI=1S/C15H17N3O/c1-10-3-8-14(11(2)18-10)15(19)17-9-12-4-6-13(16)7-5-12/h3-8H,9,16H2,1-2H3,(H,17,19)
InChIKeyXXXZJHRHLPZNPD-UHFFFAOYSA-N
XLogP2.21
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.21
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-(2-aminoethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 62830096
N-[(4-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283449
N-[[3-(bromomethyl)phenyl]methyl]-2,6-dimethylpyridine-3-carboxamide
CID 114313153
N-[(4-aminophenyl)methyl]-2-methylbenzamide
CID 60892796
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47345240
N-(2-aminopropyl)-2,6-dimethylpyridine-3-carboxamide
CID 63731041
N-[(4-aminophenyl)methyl]-3-chloro-2-methylbenzamide
CID 110484084
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-[(4-aminophenyl)methyl]-2-chlorobenzamide
CID 39360992
N-[(4-aminophenyl)methyl]-2-hydroxy-3-methylbenzamide
CID 60891251
2-amino-6-methyl-N-[[4-(4-methylphenoxy)phenyl]methyl]pyridine-3-carboxamide;formaldehyde
CID 158407094
N-[(4-aminophenyl)methyl]-2-methylsulfanylbenzamide
CID 79214611

Frequently Asked Questions

What is the IUPAC name of N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide (CID 62830418) is N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(C(=O)NCc2ccc(N)cc2)c(C)n1.
What is the InChIKey of N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is XXXZJHRHLPZNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-3-8-14(11(2)18-10)15(19)17-9-12-4-6-13(16)7-5-12/h3-8H,9,16H2,1-2H3,(H,17,19).
What are the key properties of N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide?
N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-aminophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62830418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).