4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide

C14H12ClN3O3 — CID 115571996

IUPAC4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H12ClN3O3/c1-8-5-9(2)13(18(20)21)7-11(8)17-14(19)12-6-10(15)3-4-16-12/h3-7H,1-2H3,(H,17,19)
InChIKeyISEVRGPYOVVWEE-UHFFFAOYSA-N
MW305.72 g/mol
LogP3.51
Rot. Bonds3

About 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide

4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide (PubChem CID 115571996) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
PubChem CID115571996
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
SMILESCc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccn1
InChIInChI=1S/C14H12ClN3O3/c1-8-5-9(2)13(18(20)21)7-11(8)17-14(19)12-6-10(15)3-4-16-12/h3-7H,1-2H3,(H,17,19)
InChIKeyISEVRGPYOVVWEE-UHFFFAOYSA-N
XLogP3.51
TPSA85.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-N-(4-chloro-2-nitrophenyl)pyridine-2-carboxamide
CID 60705527
5-chloro-N-(2,4-dimethyl-5-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 104757678
4-chloro-N-(4-iodo-2-methylphenyl)pyridine-2-carboxamide
CID 60656369
6-chloro-N-(2,5-dimethyl-4-nitrophenyl)pyridazine-3-carboxamide
CID 103145316
3-bromo-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide
CID 107519316
4-chloro-N-[2-[(4-chloropyridine-2-carbonyl)amino]phenyl]pyridine-2-carboxamide
CID 102274363
[2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] 4-chloropyridine-2-carboxylate
CID 8906593
5-chloro-N-(2,5-dimethyl-4-nitrophenyl)-1,3,4-thiadiazole-2-carboxamide
CID 103145314
4-chloro-N-(5-chloro-2-fluorophenyl)pyridine-2-carboxamide
CID 43385379
N-(2,4-dimethyl-5-nitrophenyl)-5-iodothiophene-3-carboxamide
CID 115618087
4-amino-N-(3-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62185643
1-(2,4-dimethyl-5-nitrophenyl)-3-[(2-methylpyrimidin-4-yl)methyl]urea
CID 75523773

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide (CID 115571996) is 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide is Cc1cc(C)c([N+](=O)[O-])cc1NC(=O)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide?
The InChIKey is ISEVRGPYOVVWEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-5-9(2)13(18(20)21)7-11(8)17-14(19)12-6-10(15)3-4-16-12/h3-7H,1-2H3,(H,17,19).
What are the key properties of 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide?
4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide has a molecular weight of 305.72 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(2,4-dimethyl-5-nitrophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 115571996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).