4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide

C13H11ClN4O3 — CID 62152357

IUPAC4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
SMILESCc1cccnc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11ClN4O3/c1-7-3-2-4-16-12(7)17-13(19)8-5-9(14)11(15)10(6-8)18(20)21/h2-6H,15H2,1H3,(H,16,17,19)
InChIKeyYCHXNTCLFZJOIV-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.79
Rot. Bonds3

About 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide

4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide (PubChem CID 62152357) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
PubChem CID62152357
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC Name4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
SMILESCc1cccnc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1
InChIInChI=1S/C13H11ClN4O3/c1-7-3-2-4-16-12(7)17-13(19)8-5-9(14)11(15)10(6-8)18(20)21/h2-6H,15H2,1H3,(H,16,17,19)
InChIKeyYCHXNTCLFZJOIV-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': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-amino-3,5-dichloro-N-(3-methyl-2-pyridinyl)benzamide
CID 82786177
4-amino-N-(3-chloro-2-pyridinyl)-3-nitrobenzamide
CID 103094802
3,5-dichloro-4-methoxy-N-(3-methyl-2-pyridinyl)benzamide
CID 17440573
2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
4-amino-3-chloro-5-nitro-N-(1,3-thiazol-2-yl)benzamide
CID 62154502
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62059685
N-(3-hydroxy-2-pyridinyl)-4-methyl-3-nitrobenzamide
CID 30159469
4-amino-N-(2-bromophenyl)-3-chloro-5-nitrobenzamide
CID 62154698
2-amino-3-chloro-N-(3-methyl-2-pyridinyl)benzamide
CID 115539994
4-amino-3-chloro-5-nitro-N-(pyridazin-3-ylmethyl)benzamide
CID 106897735
4-(4-methylpiperazin-4-ium-1-yl)-N-(3-methyl-2-pyridinyl)-3-nitrobenzamide
CID 7388415
N-(3-chloro-2-pyridinyl)-5-methyl-2-nitrobenzamide
CID 103943486

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide (CID 62152357) is 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide is Cc1cccnc1NC(=O)c1cc(Cl)c(N)c([N+](=O)[O-])c1.
What is the InChIKey of 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide?
The InChIKey is YCHXNTCLFZJOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-7-3-2-4-16-12(7)17-13(19)8-5-9(14)11(15)10(6-8)18(20)21/h2-6H,15H2,1H3,(H,16,17,19).
What are the key properties of 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide?
4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide 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 4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 62152357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).