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

C14H14ClN3O — CID 110859454

IUPAC3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccncc2N)c(Cl)c1
InChIInChI=1S/C14H14ClN3O/c1-8-5-9(2)13(11(15)6-8)18-14(19)10-3-4-17-7-12(10)16/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyGXGRKWHUVPHYHZ-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.19
Rot. Bonds2

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

3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide (PubChem CID 110859454) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide
PubChem CID110859454
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC Name3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2ccncc2N)c(Cl)c1
InChIInChI=1S/C14H14ClN3O/c1-8-5-9(2)13(11(15)6-8)18-14(19)10-3-4-17-7-12(10)16/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyGXGRKWHUVPHYHZ-UHFFFAOYSA-N
XLogP3.19
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.74
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-(2-chloro-4-methylphenyl)pyridine-4-carboxamide
CID 105068439
3-amino-N-(3-chloro-2-methylphenyl)pyridine-4-carboxamide
CID 110859044
3-amino-N-(3-bromo-4-chlorophenyl)pyridine-4-carboxamide
CID 105070699
N-(2-chloro-4,6-dimethylphenyl)pyridine-2-carboxamide
CID 19224279
3-amino-N-(2-chlorophenyl)pyridine-4-carboxamide
CID 23633071
2-bromo-N-(2-chloro-4,6-dimethylphenyl)benzamide
CID 731571
3-amino-N-(5-methyl-1,3,4-oxadiazol-2-yl)pyridine-4-carboxamide
CID 105071356
N-(3-amino-4-pyridinyl)-2,4-dimethylbenzamide
CID 63062252
N-(2-chloro-4,6-dimethylphenyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158060
N-(2-chloro-4,6-dimethylphenyl)-2-(pyridin-4-ylmethylamino)pyrimidine-5-carboxamide
CID 109259314
N-(2-chloro-4,6-dimethylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 110859405
N-(2-chloro-6-methylphenyl)-3-hydroxypyridine-4-carboxamide
CID 81442693

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide?
The IUPAC name of 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide (CID 110859454) is 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide?
The canonical SMILES for 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide is Cc1cc(C)c(NC(=O)c2ccncc2N)c(Cl)c1.
What is the InChIKey of 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide?
The InChIKey is GXGRKWHUVPHYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-5-9(2)13(11(15)6-8)18-14(19)10-3-4-17-7-12(10)16/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide?
3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide has a molecular weight of 275.74 g/mol, XLogP of 3.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-4,6-dimethylphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 110859454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).