N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide

C15H16N4O3 — CID 133270679

IUPACN-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N(C)Cc2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O3/c1-16-15(20)12-5-6-13(14(8-12)19(21)22)18(2)10-11-4-3-7-17-9-11/h3-9H,10H2,1-2H3,(H,16,20)
InChIKeyQTHHLEWTDGVIRP-UHFFFAOYSA-N
MW300.32 g/mol
LogP1.99
Rot. Bonds5

About N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide

N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide (PubChem CID 133270679) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide.

Molecular Properties

Compound NameN-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
PubChem CID133270679
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
SMILESCNC(=O)c1ccc(N(C)Cc2cccnc2)c([N+](=O)[O-])c1
InChIInChI=1S/C15H16N4O3/c1-16-15(20)12-5-6-13(14(8-12)19(21)22)18(2)10-11-4-3-7-17-9-11/h3-9H,10H2,1-2H3,(H,16,20)
InChIKeyQTHHLEWTDGVIRP-UHFFFAOYSA-N
XLogP1.99
TPSA88.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 51.99
H-Bond Donors ≤ 51
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-cyclopropyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide
CID 78831632
4-(dimethylamino)-3-nitro-N-(2-pyridin-3-ylethyl)benzamide
CID 25349409
N-methyl-3-nitro-4-(pyridin-3-ylmethylamino)benzamide
CID 78969725
N-methyl-4-[(N-methyl-2,4-dinitroanilino)methyl]benzamide
CID 26448032
N,N-diethyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzenesulfonamide
CID 9183425
4-[methyl(pyridin-3-ylmethyl)amino]-3-nitro-N-phenylbenzenesulfonamide
CID 9183438
4-[methyl(pyridin-4-ylmethyl)amino]-3-nitrobenzoic acid
CID 43420429
4-[benzyl(methyl)amino]-3-nitrobenzamide
CID 4883612
methyl 3-[N-methyl-4-(methylcarbamoyl)-2-nitroanilino]propanoate
CID 82993096
N-methyl-4-(4-methylpiperidin-1-yl)sulfonyl-2-nitro-N-(pyridin-3-ylmethyl)aniline
CID 9183640
1-[3-chloro-4-[methyl(pyridin-3-ylmethyl)amino]phenyl]ethanone
CID 62909147
2-(bromomethyl)-N-methyl-4-nitro-N-(pyridin-3-ylmethyl)aniline
CID 107080346

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide?
The IUPAC name of N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide (CID 133270679) is N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide.
What is the SMILES notation for N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide?
The canonical SMILES for N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide is CNC(=O)c1ccc(N(C)Cc2cccnc2)c([N+](=O)[O-])c1.
What is the InChIKey of N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide?
The InChIKey is QTHHLEWTDGVIRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-16-15(20)12-5-6-13(14(8-12)19(21)22)18(2)10-11-4-3-7-17-9-11/h3-9H,10H2,1-2H3,(H,16,20).
What are the key properties of N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide?
N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide has a molecular weight of 300.32 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[methyl(pyridin-3-ylmethyl)amino]-3-nitrobenzamide is sourced from PubChem (CID 133270679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).