N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide

C14H14ClN3O — CID 103144520

IUPACN-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cn2)c(C)cc1N
InChIInChI=1S/C14H14ClN3O/c1-8-6-13(9(2)5-11(8)16)18-14(19)12-4-3-10(15)7-17-12/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyRNAFJFDNCWPRLK-UHFFFAOYSA-N
MW275.74 g/mol
LogP3.19
Rot. Bonds2

About N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide

N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide (PubChem CID 103144520) has the molecular formula C14H14ClN3O and a molecular weight of 275.74 g/mol. Its IUPAC name is N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
PubChem CID103144520
Molecular FormulaC14H14ClN3O
Molecular Weight275.74 g/mol
Exact Mass275.08
IUPAC NameN-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Cl)cn2)c(C)cc1N
InChIInChI=1S/C14H14ClN3O/c1-8-6-13(9(2)5-11(8)16)18-14(19)12-4-3-10(15)7-17-12/h3-7H,16H2,1-2H3,(H,18,19)
InChIKeyRNAFJFDNCWPRLK-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-(4-hydroxy-2,5-dimethylphenyl)pyridine-2-carboxamide
CID 106834852
N-(4-amino-2,5-dimethylphenyl)-4-chlorobenzamide
CID 103144495
N-(4-amino-5-chloro-2-methylphenyl)-5-fluoropyridine-2-carboxamide
CID 104667498
N-(4-amino-2,5-dimethylphenyl)-3-chlorobenzamide
CID 103144412
5-chloro-N-(3-iodo-4-methylphenyl)pyridine-2-carboxamide
CID 113238388
4-amino-N-(5-chloro-2-methylphenyl)-6-methylpyridine-3-carboxamide
CID 81233570
N-(4-amino-2,5-dimethylphenyl)-2,6-difluorobenzamide
CID 103144635
6-[(4-chloro-2-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427229
N-(4-amino-5-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 113438955
5-carbamothioyl-N-(4-chloro-2-methylphenyl)pyridine-2-carboxamide
CID 63723402
5-chloro-N-(2,6-dimethyl-4-pyridinyl)pyridine-2-carboxamide
CID 167928774
N-(4-amino-2,5-dimethylphenyl)-4-propan-2-ylbenzamide
CID 103144350

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide?
The IUPAC name of N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide (CID 103144520) is N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide.
What is the SMILES notation for N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide?
The canonical SMILES for N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide is Cc1cc(NC(=O)c2ccc(Cl)cn2)c(C)cc1N.
What is the InChIKey of N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide?
The InChIKey is RNAFJFDNCWPRLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN3O/c1-8-6-13(9(2)5-11(8)16)18-14(19)12-4-3-10(15)7-17-12/h3-7H,16H2,1-2H3,(H,18,19).
What are the key properties of N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide?
N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-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 N-(4-amino-2,5-dimethylphenyl)-5-chloropyridine-2-carboxamide is sourced from PubChem (CID 103144520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).