N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide

C13H11ClN4O3 — CID 62683040

IUPACN-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
SMILESCNc1cc(C(=O)Nc2ccc(Cl)cn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN4O3/c1-15-10-6-8(2-4-11(10)18(20)21)13(19)17-12-5-3-9(14)7-16-12/h2-7,15H,1H3,(H,16,17,19)
InChIKeyIEELZOIDMBVOEF-UHFFFAOYSA-N
MW306.71 g/mol
LogP2.94
Rot. Bonds4

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

N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide (PubChem CID 62683040) has the molecular formula C13H11ClN4O3 and a molecular weight of 306.71 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
PubChem CID62683040
Molecular FormulaC13H11ClN4O3
Molecular Weight306.71 g/mol
Exact Mass306.05
IUPAC NameN-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
SMILESCNc1cc(C(=O)Nc2ccc(Cl)cn2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H11ClN4O3/c1-15-10-6-8(2-4-11(10)18(20)21)13(19)17-12-5-3-9(14)7-16-12/h2-7,15H,1H3,(H,16,17,19)
InChIKeyIEELZOIDMBVOEF-UHFFFAOYSA-N
XLogP2.94
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.71
LogP ≤ 52.94
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

N-(5-chloro-2-pyridinyl)-3-hydroxy-4-nitrobenzamide
CID 103604547
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
CID 62680843
N-(5-chloro-2-pyridinyl)-4-fluoro-3-nitrobenzamide
CID 43243955
N-(5-bromo-2-pyridinyl)-4-(methylamino)-3-nitrobenzamide
CID 60650974
3-chloro-4-nitro-N-(5-nitro-2-pyridinyl)benzamide
CID 11834512
N'-(4-chlorobenzoyl)-4-(methylamino)-3-nitrobenzohydrazide
CID 9431711
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
CID 62681560
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
N-(5-bromo-2-pyridinyl)-3-methoxy-4-nitrobenzamide
CID 115602061
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 5-chloro-2-nitrobenzoate
CID 2602552
N-(5-chloro-2-pyridinyl)-3-methoxy-4-methylbenzamide
CID 47122719

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide (CID 62683040) is N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide is CNc1cc(C(=O)Nc2ccc(Cl)cn2)ccc1[N+](=O)[O-].
What is the InChIKey of N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide?
The InChIKey is IEELZOIDMBVOEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O3/c1-15-10-6-8(2-4-11(10)18(20)21)13(19)17-12-5-3-9(14)7-16-12/h2-7,15H,1H3,(H,16,17,19).
What are the key properties of N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide?
N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide has a molecular weight of 306.71 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide is sourced from PubChem (CID 62683040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).