3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide

C14H14N4O3 — CID 115548346

IUPAC3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCNc1cccc(C(=O)NCc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c1-15-12-7-4-6-11(13(12)18(20)21)14(19)17-9-10-5-2-3-8-16-10/h2-8,15H,9H2,1H3,(H,17,19)
InChIKeyNUOQNEIFVVXCFR-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.96
Rot. Bonds5

About 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide

3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 115548346) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide
PubChem CID115548346
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide
SMILESCNc1cccc(C(=O)NCc2ccccn2)c1[N+](=O)[O-]
InChIInChI=1S/C14H14N4O3/c1-15-12-7-4-6-11(13(12)18(20)21)14(19)17-9-10-5-2-3-8-16-10/h2-8,15H,9H2,1H3,(H,17,19)
InChIKeyNUOQNEIFVVXCFR-UHFFFAOYSA-N
XLogP1.96
TPSA97.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.96
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

3-(methylamino)-2-nitro-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 115548761
3-(methylamino)-2-nitro-N-(1,2,4-oxadiazol-3-ylmethyl)benzamide
CID 106408432
N-[(3-bromothiophen-2-yl)methyl]-3-(methylamino)-2-nitrobenzamide
CID 115549297
3-fluoro-2-(methylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62649935
3-(methylamino)-N-[2-(methylamino)-2-oxoethyl]-2-nitrobenzamide
CID 115548497
2-acetamido-N-(pyridin-2-ylmethyl)benzamide
CID 783556
2-(ethylamino)-N-(pyridin-2-ylmethyl)benzamide
CID 62167465
3-(methylamino)-2-nitro-N-pentylbenzamide
CID 115548093
2-fluoro-5-nitro-N-(pyridin-2-ylmethyl)benzamide
CID 22467360
6-methyl-4-(methylamino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 81236822
3-amino-2-nitro-N-(2-pyridin-2-ylethyl)benzamide
CID 115548148
3-(methylamino)-2-nitro-N-(6-oxo-1H-pyridazin-3-yl)benzamide
CID 116788082

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide (CID 115548346) is 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide is CNc1cccc(C(=O)NCc2ccccn2)c1[N+](=O)[O-].
What is the InChIKey of 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is NUOQNEIFVVXCFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-15-12-7-4-6-11(13(12)18(20)21)14(19)17-9-10-5-2-3-8-16-10/h2-8,15H,9H2,1H3,(H,17,19).
What are the key properties of 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide?
3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 286.29 g/mol, XLogP of 1.96, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-2-nitro-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 115548346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).