3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide

C14H14N4O3 — CID 105069816

IUPAC3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H14N4O3/c1-15-13-9-16-6-5-12(13)14(19)17-8-10-3-2-4-11(7-10)18(20)21/h2-7,9,15H,8H2,1H3,(H,17,19)
InChIKeyGNDUAGHUXCWSMX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.96
Rot. Bonds5

About 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide

3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide (PubChem CID 105069816) has the molecular formula C14H14N4O3 and a molecular weight of 286.29 g/mol. Its IUPAC name is 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
PubChem CID105069816
Molecular FormulaC14H14N4O3
Molecular Weight286.29 g/mol
Exact Mass286.11
IUPAC Name3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide
SMILESCNc1cnccc1C(=O)NCc1cccc([N+](=O)[O-])c1
InChIInChI=1S/C14H14N4O3/c1-15-13-9-16-6-5-12(13)14(19)17-8-10-3-2-4-11(7-10)18(20)21/h2-7,9,15H,8H2,1H3,(H,17,19)
InChIKeyGNDUAGHUXCWSMX-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'}

Analyze 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[3-[[ethyl(methyl)amino]methyl]phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 47787642
6-methyl-N-[(3-nitrophenyl)methyl]-2-oxo-1H-pyridine-3-carboxamide
CID 86852224
2-iodo-N-[(3-nitrophenyl)methyl]benzamide
CID 47450330
2-(methylamino)-N-[(3-nitrophenyl)methyl]acetamide
CID 62504721
2-methyl-N-[(3-nitrophenyl)methyl]propanamide
CID 47450411
3-(methylamino)-N-[(4-propan-2-ylphenyl)methyl]pyridine-4-carboxamide
CID 105069426
2-amino-5-bromo-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 62503690
N-ethyl-3-(methylamino)pyridine-4-carboxamide
CID 105068179
N-[[4-(methoxymethyl)phenyl]methyl]-2-(methylamino)-5-nitrobenzamide
CID 46415800
ethyl 2-[2-[(3-nitrophenyl)methylcarbamoyl]anilino]acetate
CID 139690714
N-[(3-nitrophenyl)methyl]butanamide
CID 47450320
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 24903449

Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide (CID 105069816) is 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide is CNc1cnccc1C(=O)NCc1cccc([N+](=O)[O-])c1.
What is the InChIKey of 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide?
The InChIKey is GNDUAGHUXCWSMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O3/c1-15-13-9-16-6-5-12(13)14(19)17-8-10-3-2-4-11(7-10)18(20)21/h2-7,9,15H,8H2,1H3,(H,17,19).
What are the key properties of 3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide?
3-(methylamino)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide 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)-N-[(3-nitrophenyl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105069816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).