4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine

C13H13N3O2 — CID 63329672

IUPAC4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
SMILESCc1ccncc1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O2/c1-10-6-7-14-9-12(10)15-8-11-4-2-3-5-13(11)16(17)18/h2-7,9,15H,8H2,1H3
InChIKeyLXKYGLBHEZHLFU-UHFFFAOYSA-N
MW243.27 g/mol
LogP2.91
Rot. Bonds4

About 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine

4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine (PubChem CID 63329672) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine.

Molecular Properties

Compound Name4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
PubChem CID63329672
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine
SMILESCc1ccncc1NCc1ccccc1[N+](=O)[O-]
InChIInChI=1S/C13H13N3O2/c1-10-6-7-14-9-12(10)15-8-11-4-2-3-5-13(11)16(17)18/h2-7,9,15H,8H2,1H3
InChIKeyLXKYGLBHEZHLFU-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

N-(4-methyl-3-pyridinyl)-1-(2-nitrophenyl)methanesulfonamide
CID 75449066
N-[(2-methyl-3-nitrophenyl)methyl]-3-nitropyridin-4-amine
CID 103112027
2-ethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28583356
N-[(2-fluorophenyl)methyl]-3-nitropyridin-4-amine
CID 10332195
2,5-dichloro-4-methyl-N-[(2-nitrophenyl)methyl]aniline
CID 104725978
N-[(2-fluorophenyl)methyl]-8-nitroisoquinolin-5-amine
CID 26452304
N-[(2,3-dichlorophenyl)methyl]-4-methylpyridin-3-amine
CID 63329830
1-(2-methylphenyl)-N-[(2-nitrophenyl)methyl]methanamine
CID 60664546
2-methyl-N-[(2-nitrophenyl)methyl]pyrimidin-4-amine
CID 55112765
5-methyl-3-nitro-N-[(2-nitrophenyl)methyl]pyridin-2-amine
CID 24903305
4-bromo-2,6-dimethyl-N-[(2-nitrophenyl)methyl]aniline
CID 28596634
2-(methylsulfonylmethyl)-N-[(2-nitrophenyl)methyl]aniline
CID 154749719

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine?
The IUPAC name of 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine (CID 63329672) is 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine.
What is the SMILES notation for 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine?
The canonical SMILES for 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine is Cc1ccncc1NCc1ccccc1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine?
The InChIKey is LXKYGLBHEZHLFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c1-10-6-7-14-9-12(10)15-8-11-4-2-3-5-13(11)16(17)18/h2-7,9,15H,8H2,1H3.
What are the key properties of 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine?
4-methyl-N-[(2-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 4-methyl-N-[(2-nitrophenyl)methyl]pyridin-3-amine is sourced from PubChem (CID 63329672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).