N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide

C14H14N4O3 — CID 78969725

IUPACN-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N4O3/c1-15-14(19)11-4-5-12(13(7-11)18(20)21)17-9-10-3-2-6-16-8-10/h2-8,17H,9H2,1H3,(H,15,19)
InChIKeyCQZWCKWKYLILOK-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.96
Rot. Bonds5

About N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide

N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide (PubChem CID 78969725) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
PubChem CID78969725
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC NameN-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
SMILESCNC(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C14H14N4O3/c1-15-14(19)11-4-5-12(13(7-11)18(20)21)17-9-10-3-2-6-16-8-10/h2-8,17H,9H2,1H3,(H,15,19)
InChIKeyCQZWCKWKYLILOK-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

4-(benzylamino)-N-methyl-3-nitrobenzamide
CID 78906795
N-(3-chloro-4-methylphenyl)-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 2902965
4-(2-methoxyethylamino)-3-nitro-N-(pyridin-3-ylmethyl)benzamide
CID 24512537
N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 133270679
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzenesulfonamide
CID 9280104
1-[3-nitro-4-[(4-pyridin-3-ylphenyl)methylamino]phenyl]ethanone
CID 133332757
N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzamide
CID 103718691
N-methyl-4-[(2-methyl-1,3-thiazol-5-yl)methylamino]-3-nitrobenzamide
CID 78970979
3,4-dihydro-2H-quinolin-1-yl-[3-nitro-4-(pyridin-3-ylmethylamino)phenyl]methanone
CID 2979752
2,4-dimethyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 104757609
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-N-methyl-3-nitrobenzamide
CID 133342155
4-[(3-fluoro-4-imidazol-1-ylphenyl)methylamino]-N-methyl-3-nitrobenzamide
CID 47983181

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide?
The IUPAC name of N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide (CID 78969725) is N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide.
What is the SMILES notation for N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide?
The canonical SMILES for N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide is CNC(=O)c1ccc(NCc2cccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide?
The InChIKey is CQZWCKWKYLILOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-15-14(19)11-4-5-12(13(7-11)18(20)21)17-9-10-3-2-6-16-8-10/h2-8,17H,9H2,1H3,(H,15,19).
What are the key properties of N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide?
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)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 N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide is sourced from PubChem (CID 78969725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).