2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide

C13H11ClN4O3 — CID 114922911

IUPAC2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H11ClN4O3/c1-7-4-8(18(20)21)2-3-11(7)17-13(19)9-5-12(15)16-6-10(9)14/h2-6H,1H3,(H2,15,16)(H,17,19)
InChIKeyOBKVEJWIYNQACQ-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.79
Rot. Bonds3

About 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide

2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide (PubChem CID 114922911) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide
PubChem CID114922911
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide
SMILESCc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(N)ncc1Cl
InChIInChI=1S/C13H11ClN4O3/c1-7-4-8(18(20)21)2-3-11(7)17-13(19)9-5-12(15)16-6-10(9)14/h2-6H,1H3,(H2,15,16)(H,17,19)
InChIKeyOBKVEJWIYNQACQ-UHFFFAOYSA-N
XLogP2.79
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-amino-5-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 43708503
2-amino-5-chloro-N-(5-cyano-2-methylphenyl)pyridine-4-carboxamide
CID 114922463
3-chloro-4-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 2913893
3,6-dichloro-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 60651020
2-amino-4-fluoro-N-(2-methyl-4-nitrophenyl)benzamide
CID 63110152
2-chloro-N-(2-chloro-4-nitrophenyl)-5-nitrobenzamide
CID 4594592
N-(4-chloro-2-methylphenyl)-2-(methylamino)-5-nitrobenzamide
CID 16963040
4-hydrazinyl-N-(2-methyl-4-nitrophenyl)pyridine-2-carboxamide
CID 62247149
2-bromo-5-methyl-N-(2-methyl-4-nitrophenyl)benzamide
CID 81110110
N-(2-chloro-4-nitrophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 23853374
2-amino-5-chloro-N-(2-chloro-5-cyanophenyl)pyridine-4-carboxamide
CID 114924132
2-chloro-N-(3-chloro-2-methylphenyl)-5-nitrobenzamide
CID 2323396

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide?
The IUPAC name of 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide (CID 114922911) is 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide?
The canonical SMILES for 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide is Cc1cc([N+](=O)[O-])ccc1NC(=O)c1cc(N)ncc1Cl.
What is the InChIKey of 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide?
The InChIKey is OBKVEJWIYNQACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-7-4-8(18(20)21)2-3-11(7)17-13(19)9-5-12(15)16-6-10(9)14/h2-6H,1H3,(H2,15,16)(H,17,19).
What are the key properties of 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide?
2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide has a molecular weight of 306.71 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-chloro-N-(2-methyl-4-nitrophenyl)pyridine-4-carboxamide is sourced from PubChem (CID 114922911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).