5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine

C13H13N3O2 — CID 75386276

IUPAC5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine
SMILESCc1cncc(NCc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H13N3O2/c1-10-5-12(9-14-7-10)15-8-11-3-2-4-13(6-11)16(17)18/h2-7,9,15H,8H2,1H3
InChIKeyRMIHVMSANPFBAQ-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.91
Rot. Bonds4

About 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine

5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine (PubChem CID 75386276) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine
PubChem CID75386276
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine
SMILESCc1cncc(NCc2cccc([N+](=O)[O-])c2)c1
InChIInChI=1S/C13H13N3O2/c1-10-5-12(9-14-7-10)15-8-11-3-2-4-13(6-11)16(17)18/h2-7,9,15H,8H2,1H3
InChIKeyRMIHVMSANPFBAQ-UHFFFAOYSA-N
XLogP2.91
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-bromo-3,5-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 107571686
N-[(4-bromo-3-nitrophenyl)methyl]-5-methylpyridin-3-amine
CID 103824089
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
3-methyl-N-[(3-methylphenyl)methyl]-5-nitroaniline
CID 112649015
3-[[(5-methyl-3-pyridinyl)amino]methyl]benzamide
CID 103824002
6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
CID 47453552
[3-[(3-nitrophenyl)methylamino]phenyl]methanol
CID 43231446
[3-[(3-nitrophenyl)methylamino]phenyl]carbamic acid
CID 66880539
3,4-dimethoxy-N-[(3-nitrophenyl)methyl]aniline
CID 28575174
2,6-diethyl-N-[(3-nitrophenyl)methyl]aniline
CID 62327157
2-methyl-N-[(3-nitrophenyl)methyl]-3H-benzimidazol-5-amine
CID 43232967
3-bromo-4-fluoro-N-[(3-nitrophenyl)methyl]aniline
CID 115650290

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine?
The IUPAC name of 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine (CID 75386276) is 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine is Cc1cncc(NCc2cccc([N+](=O)[O-])c2)c1.
What is the InChIKey of 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine?
The InChIKey is RMIHVMSANPFBAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-10-5-12(9-14-7-10)15-8-11-3-2-4-13(6-11)16(17)18/h2-7,9,15H,8H2,1H3.
What are the key properties of 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine?
5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine has a molecular weight of 243.27 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 75386276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).