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

C13H12N4O3 — CID 62059685

IUPAC2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
SMILESCc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C13H12N4O3/c1-8-3-2-6-15-12(8)16-13(18)10-7-9(17(19)20)4-5-11(10)14/h2-7H,14H2,1H3,(H,15,16,18)
InChIKeyNTVXZWGUEWKDBO-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.13
Rot. Bonds3

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

2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide (PubChem CID 62059685) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide.

Molecular Properties

Compound Name2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
PubChem CID62059685
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
SMILESCc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1N
InChIInChI=1S/C13H12N4O3/c1-8-3-2-6-15-12(8)16-13(18)10-7-9(17(19)20)4-5-11(10)14/h2-7H,14H2,1H3,(H,15,16,18)
InChIKeyNTVXZWGUEWKDBO-UHFFFAOYSA-N
XLogP2.13
TPSA111.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.13
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

2-chloro-N-(3-methyl-2-pyridinyl)-4-nitrobenzamide
CID 3273580
N-(2-chloro-5-nitrophenyl)-N'-(3-methyl-2-pyridinyl)oxamide
CID 108513596
5-amino-2,4-difluoro-N-(3-methyl-2-pyridinyl)benzamide
CID 61094910
6-amino-N-(3-methyl-2-pyridinyl)-1,3-benzodioxole-5-carboxamide
CID 103542800
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methyl-5-nitrobenzamide
CID 103297649
3-amino-N-(2-methyl-5-nitrophenyl)pyridine-2-carboxamide
CID 104741301
4-amino-3-chloro-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide
CID 62152357
5-bromo-2-methyl-N-(3-methyl-2-pyridinyl)benzamide
CID 65307070
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzamide
CID 102977040
N-(3-methyl-2-pyridinyl)-2-[2-[(3-methyl-2-pyridinyl)carbamoyl]phenyl]benzamide
CID 1108359
2-amino-N-(2-methylpyrazol-3-yl)-5-nitrobenzamide
CID 62161256
2-hydrazinyl-N-(3-methyl-2-pyridinyl)benzamide
CID 62236931

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide?
The IUPAC name of 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide (CID 62059685) is 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide.
What is the SMILES notation for 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide?
The canonical SMILES for 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide is Cc1cccnc1NC(=O)c1cc([N+](=O)[O-])ccc1N.
What is the InChIKey of 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide?
The InChIKey is NTVXZWGUEWKDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-8-3-2-6-15-12(8)16-13(18)10-7-9(17(19)20)4-5-11(10)14/h2-7H,14H2,1H3,(H,15,16,18).
What are the key properties of 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide?
2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3-methyl-2-pyridinyl)-5-nitrobenzamide is sourced from PubChem (CID 62059685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).