6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine

C12H12N4O2 — CID 80718550

IUPAC6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCc1nc(NCc2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O2/c1-9-11(16(17)18)4-5-12(15-9)14-8-10-3-2-6-13-7-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyUUBYEOVWXPZQOT-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.31
Rot. Bonds4

About 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine

6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine (PubChem CID 80718550) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
PubChem CID80718550
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
SMILESCc1nc(NCc2cccnc2)ccc1[N+](=O)[O-]
InChIInChI=1S/C12H12N4O2/c1-9-11(16(17)18)4-5-12(15-9)14-8-10-3-2-6-13-7-10/h2-7H,8H2,1H3,(H,14,15)
InChIKeyUUBYEOVWXPZQOT-UHFFFAOYSA-N
XLogP2.31
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.31
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'}

Analyze 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-5-nitro-N-(2-pyridin-3-ylethyl)pyridin-2-amine
CID 80718289
N-[(4-aminophenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 116650504
N-[(4-methoxyphenyl)methyl]-6-methyl-5-nitropyridin-2-amine
CID 80718457
6-methyl-5-nitro-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 80718363
2,4-dimethyl-5-nitro-N-(pyridin-3-ylmethyl)aniline
CID 104757609
6-chloro-3-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine
CID 24904008
3-iodo-4-nitro-N-(pyridin-3-ylmethyl)aniline
CID 47277007
5-nitro-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 56762955
3-nitro-6-(2-pyridin-3-ylethylamino)pyridine-2-carbonitrile
CID 103471291
6-N-methyl-3-nitro-2-N-(2-pyridin-3-ylethyl)pyridine-2,6-diamine
CID 80790541
4-nitro-6-N-(pyridin-3-ylmethyl)pyridine-2,6-diamine
CID 114071056
N-but-2-ynyl-6-methyl-5-nitropyridin-2-amine
CID 115903970

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine (CID 80718550) is 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine is Cc1nc(NCc2cccnc2)ccc1[N+](=O)[O-].
What is the InChIKey of 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine?
The InChIKey is UUBYEOVWXPZQOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-9-11(16(17)18)4-5-12(15-9)14-8-10-3-2-6-13-7-10/h2-7H,8H2,1H3,(H,14,15).
What are the key properties of 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine?
6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine has a molecular weight of 244.25 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-nitro-N-(pyridin-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 80718550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).