4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine

C14H15N3O2 — CID 24903275

IUPAC4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccc(CNc2nccc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2/c1-10-3-5-12(6-4-10)9-16-14-13(17(18)19)11(2)7-8-15-14/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyQGFLJMHDOZSNOY-UHFFFAOYSA-N
MW257.29 g/mol
LogP3.22
Rot. Bonds4

About 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine

4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine (PubChem CID 24903275) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
PubChem CID24903275
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccc(CNc2nccc(C)c2[N+](=O)[O-])cc1
InChIInChI=1S/C14H15N3O2/c1-10-3-5-12(6-4-10)9-16-14-13(17(18)19)11(2)7-8-15-14/h3-8H,9H2,1-2H3,(H,15,16)
InChIKeyQGFLJMHDOZSNOY-UHFFFAOYSA-N
XLogP3.22
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 53.22
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-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
CID 114956616
4-N-[(4-chlorophenyl)methyl]-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 22534610
4-N-tert-butyl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23478760
4-N-[(4-methoxyphenyl)methyl]-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23494657
6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23482023
4-N-(2,4-dimethylphenyl)-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23495449
4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78966269
4-N,4-N-diethyl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23488750
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22531801
4-N-methyl-6-N-[(4-methylphenyl)methyl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine
CID 22526966
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine (CID 24903275) is 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine is Cc1ccc(CNc2nccc(C)c2[N+](=O)[O-])cc1.
What is the InChIKey of 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is QGFLJMHDOZSNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-10-3-5-12(6-4-10)9-16-14-13(17(18)19)11(2)7-8-15-14/h3-8H,9H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine?
4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine has a molecular weight of 257.29 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 24903275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).