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

C13H14N4O2 — CID 114700820

IUPAC6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCc2ccncc2C)n1
InChIInChI=1S/C13H14N4O2/c1-9-7-14-6-5-11(9)8-15-13-12(17(18)19)4-3-10(2)16-13/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyOSZXASLOFQYNNN-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.61
Rot. Bonds4

About 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine

6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine (PubChem CID 114700820) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine.

Molecular Properties

Compound Name6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine
PubChem CID114700820
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine
SMILESCc1ccc([N+](=O)[O-])c(NCc2ccncc2C)n1
InChIInChI=1S/C13H14N4O2/c1-9-7-14-6-5-11(9)8-15-13-12(17(18)19)4-3-10(2)16-13/h3-7H,8H2,1-2H3,(H,15,16)
InChIKeyOSZXASLOFQYNNN-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

6-chloro-N-[(4-methyl-3-pyridinyl)methyl]-3-nitropyridin-2-amine
CID 114957217
N-[(5-amino-1-methylpyrazol-4-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 81136342
6-methyl-N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81137942
N-[(5-bromo-2-nitrophenyl)methyl]-1-(3-methyl-4-pyridinyl)methanamine
CID 114699069
6-methyl-N-[(1-methylimidazol-2-yl)methyl]-3-nitropyridin-2-amine
CID 81138648
6-methyl-N-(2-methylpropyl)-3-nitropyridin-2-amine
CID 81138941
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 103780073
6-methoxy-N-[(3-methyl-4-pyridinyl)methyl]-5-nitropyrimidin-4-amine
CID 114701012
1-(4-methyl-3-nitrophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699228
1-(4-bromo-2-nitrophenyl)-N-[(3-methyl-4-pyridinyl)methyl]methanamine
CID 114699049
3-ethyl-1-methyl-N-[(3-methyl-4-pyridinyl)methyl]-4-nitropyrazol-5-amine
CID 114701038
N-(2-imidazol-1-ylethyl)-6-methyl-3-nitropyridin-2-amine
CID 81138480

Frequently Asked Questions

What is the IUPAC name of 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine?
The IUPAC name of 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine (CID 114700820) is 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine.
What is the SMILES notation for 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine?
The canonical SMILES for 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine is Cc1ccc([N+](=O)[O-])c(NCc2ccncc2C)n1.
What is the InChIKey of 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine?
The InChIKey is OSZXASLOFQYNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-9-7-14-6-5-11(9)8-15-13-12(17(18)19)4-3-10(2)16-13/h3-7H,8H2,1-2H3,(H,15,16).
What are the key properties of 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine?
6-methyl-N-[(3-methyl-4-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 6-methyl-N-[(3-methyl-4-pyridinyl)methyl]-3-nitropyridin-2-amine is sourced from PubChem (CID 114700820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).