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

C13H14N4O2 — CID 114956616

IUPAC4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccncc1CNc1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2/c1-9-3-5-14-7-11(9)8-16-13-12(17(18)19)10(2)4-6-15-13/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyPZOYSGXRJCYOQN-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.61
Rot. Bonds4

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

4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine (PubChem CID 114956616) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
PubChem CID114956616
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccncc1CNc1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C13H14N4O2/c1-9-3-5-14-7-11(9)8-16-13-12(17(18)19)10(2)4-6-15-13/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyPZOYSGXRJCYOQN-UHFFFAOYSA-N
XLogP2.61
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.61
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

4-methyl-N-[(4-methylphenyl)methyl]-3-nitropyridin-2-amine
CID 24903275
6-chloro-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
CID 114957217
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-4-methyl-3-nitropyridin-2-amine
CID 103704528
4-methyl-3-nitro-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyridin-2-amine
CID 78966269
4-methyl-3-nitro-N-pentylpyridin-2-amine
CID 57153384
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-5-nitropyrimidin-4-amine
CID 114701012
4-methyl-N-(3-methylbut-2-enyl)-3-nitropyridin-2-amine
CID 103525180
N-(2-chloroprop-2-enyl)-4-methyl-3-nitropyridin-2-amine
CID 115637328
2-iodo-N-[(4-methyl-3-pyridinyl)methyl]-4-nitroaniline
CID 114956668
1,1-dimethyl-2-(4-methyl-3-nitro-2-pyridinyl)hydrazine
CID 83025448
4-methyl-3-nitro-N-propan-2-ylpyridin-2-amine
CID 24903132
4-methyl-3-nitro-N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]pyridin-2-amine
CID 133379919

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine (CID 114956616) is 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine is Cc1ccncc1CNc1nccc(C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is PZOYSGXRJCYOQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-3-5-14-7-11(9)8-16-13-12(17(18)19)10(2)4-6-15-13/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine?
4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine has a molecular weight of 258.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 114956616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).