3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide

C13H12N4O3 — CID 62681560

IUPAC3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
SMILESCNc1cc(C(=O)Nc2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c1-14-11-7-9(4-5-12(11)17(19)20)13(18)16-10-3-2-6-15-8-10/h2-8,14H,1H3,(H,16,18)
InChIKeyHCMIPNMXRYJYFV-UHFFFAOYSA-N
MW272.26 g/mol
LogP2.28
Rot. Bonds4

About 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide

3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide (PubChem CID 62681560) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
PubChem CID62681560
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide
SMILESCNc1cc(C(=O)Nc2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C13H12N4O3/c1-14-11-7-9(4-5-12(11)17(19)20)13(18)16-10-3-2-6-15-8-10/h2-8,14H,1H3,(H,16,18)
InChIKeyHCMIPNMXRYJYFV-UHFFFAOYSA-N
XLogP2.28
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 52.28
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

4-fluoro-3-nitro-N-pyridin-3-ylbenzamide
CID 43215734
N-(4-chlorophenyl)-3-(methylamino)-4-nitrobenzamide
CID 62680843
3-hydrazinyl-4-nitro-N-pyrimidin-5-ylbenzamide
CID 107590008
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
5-methoxy-2-nitro-N-pyridin-3-ylbenzamide
CID 47401859
N-(5-chloro-2-pyridinyl)-3-(methylamino)-4-nitrobenzamide
CID 62683040
4-[(4-methyl-5-nitro-2-pyridinyl)oxy]-N-pyridin-3-ylbenzamide
CID 133328894
3-(methylamino)-4-nitrobenzoic acid
CID 22184623
N-ethyl-3-(methylamino)-4-nitrobenzamide
CID 62683031
3-[(4-nitrophenyl)methyl]-N-pyridin-3-ylbenzamide
CID 70867896
4-(methylamino)-N-(3-methylphenyl)-3-nitrobenzamide
CID 9341535
4-hydrazinyl-3-methyl-N-pyridin-3-ylbenzamide
CID 63212144

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide?
The IUPAC name of 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide (CID 62681560) is 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide.
What is the SMILES notation for 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide?
The canonical SMILES for 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide is CNc1cc(C(=O)Nc2cccnc2)ccc1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide?
The InChIKey is HCMIPNMXRYJYFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-14-11-7-9(4-5-12(11)17(19)20)13(18)16-10-3-2-6-15-8-10/h2-8,14H,1H3,(H,16,18).
What are the key properties of 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide?
3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide has a molecular weight of 272.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-4-nitro-N-pyridin-3-ylbenzamide is sourced from PubChem (CID 62681560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).