N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide

C15H17N3O — CID 106752359

IUPACN-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)ccc(N)c2C)ccn1
InChIInChI=1S/C15H17N3O/c1-9-4-5-13(16)11(3)14(9)18-15(19)12-6-7-17-10(2)8-12/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeySLBKDSVRCMZHRN-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.84
Rot. Bonds2

About N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide

N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide (PubChem CID 106752359) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
PubChem CID106752359
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC NameN-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2c(C)ccc(N)c2C)ccn1
InChIInChI=1S/C15H17N3O/c1-9-4-5-13(16)11(3)14(9)18-15(19)12-6-7-17-10(2)8-12/h4-8H,16H2,1-3H3,(H,18,19)
InChIKeySLBKDSVRCMZHRN-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-(3-amino-2,6-dimethylphenyl)-6-methylpyridine-3-carboxamide
CID 24705702
N-(3-amino-2,6-dimethylphenyl)pyridazine-4-carboxamide
CID 104669075
N-(2-amino-4-bromo-6-methylphenyl)-2-methylpyridine-4-carboxamide
CID 106752400
N-(3-amino-2,6-dimethylphenyl)-3,4-difluorobenzamide
CID 24691936
4-amino-3-methyl-N-(2-methyl-4-pyridinyl)benzamide
CID 79234917
N-(3-amino-2,6-dimethylphenyl)-3-hydroxy-4-methoxybenzamide
CID 79737127
N-(3-amino-2,6-dimethylphenyl)-2,4,6-trimethylbenzamide
CID 24707284
N-(3-amino-2,6-dimethylphenyl)-3-bromopyridine-2-carboxamide
CID 107516838
N-(2-amino-4,5-dimethoxyphenyl)-2-methylpyridine-4-carboxamide
CID 106752394
(3-amino-2,6-dimethylphenyl)urea
CID 19820899
N-(3-amino-2,6-dimethylphenyl)-5-bromopyridine-2-carboxamide
CID 62958756
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide?
The IUPAC name of N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide (CID 106752359) is N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide?
The canonical SMILES for N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide is Cc1cc(C(=O)Nc2c(C)ccc(N)c2C)ccn1.
What is the InChIKey of N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide?
The InChIKey is SLBKDSVRCMZHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-9-4-5-13(16)11(3)14(9)18-15(19)12-6-7-17-10(2)8-12/h4-8H,16H2,1-3H3,(H,18,19).
What are the key properties of N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide?
N-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-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-(3-amino-2,6-dimethylphenyl)-2-methylpyridine-4-carboxamide is sourced from PubChem (CID 106752359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).