N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide

C15H17N3O — CID 62828848

IUPACN-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)nc2C)c(N)c1
InChIInChI=1S/C15H17N3O/c1-9-4-7-14(13(16)8-9)18-15(19)12-6-5-10(2)17-11(12)3/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeyDVCGEUXEHXDHRO-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.84
Rot. Bonds2

About N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide

N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide (PubChem CID 62828848) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
PubChem CID62828848
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
SMILESCc1ccc(NC(=O)c2ccc(C)nc2C)c(N)c1
InChIInChI=1S/C15H17N3O/c1-9-4-7-14(13(16)8-9)18-15(19)12-6-5-10(2)17-11(12)3/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeyDVCGEUXEHXDHRO-UHFFFAOYSA-N
XLogP2.84
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.84
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-(2-amino-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830415
N-(2-amino-4-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62830762
N-(2-amino-4-cyanophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 78965569
N-(4-amino-2-fluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 62831114
N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81313433
N-(2-bromo-4-chlorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81024100
2-[(2,6-dimethylpyridine-3-carbonyl)amino]-5-hydroxybenzoic acid
CID 62829376
2-amino-N-(2,6-dimethyl-3-pyridinyl)-5-hydroxybenzamide
CID 107075650
4-[(2,6-dimethylpyridine-3-carbonyl)amino]-3-hydroxybenzoic acid
CID 62830080
N-(2-amino-4-methylphenyl)naphthalene-1-carboxamide
CID 43259068
N-(2-amino-4-methylphenyl)-2-chloro-4-fluorobenzamide
CID 43259104
N-(5-bromo-2-methylphenyl)-2,6-dimethylpyridine-3-carboxamide
CID 47308279

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The IUPAC name of N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide (CID 62828848) is N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The canonical SMILES for N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide is Cc1ccc(NC(=O)c2ccc(C)nc2C)c(N)c1.
What is the InChIKey of N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide?
The InChIKey is DVCGEUXEHXDHRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-4-7-14(13(16)8-9)18-15(19)12-6-5-10(2)17-11(12)3/h4-8H,16H2,1-3H3,(H,18,19).
What are the key properties of N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide?
N-(2-amino-4-methylphenyl)-2,6-dimethylpyridine-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.84, 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-methylphenyl)-2,6-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 62828848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).