3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine

C13H19N3O2 — CID 55261968

IUPAC3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCC1(C)CCCC1
InChIInChI=1S/C13H19N3O2/c1-10-7-11(16(17)18)8-14-12(10)15-9-13(2)5-3-4-6-13/h7-8H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyWZIQCCDQYGSHJM-UHFFFAOYSA-N
MW249.31 g/mol
LogP3.29
Rot. Bonds4

About 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine

3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine (PubChem CID 55261968) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
PubChem CID55261968
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine
SMILESCc1cc([N+](=O)[O-])cnc1NCC1(C)CCCC1
InChIInChI=1S/C13H19N3O2/c1-10-7-11(16(17)18)8-14-12(10)15-9-13(2)5-3-4-6-13/h7-8H,3-6,9H2,1-2H3,(H,14,15)
InChIKeyWZIQCCDQYGSHJM-UHFFFAOYSA-N
XLogP3.29
TPSA68.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 53.29
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'}

Analyze 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-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

N-[[1-(dimethylamino)cyclobutyl]methyl]-3-methyl-5-nitropyridin-2-amine
CID 105418908
3-methyl-5-nitro-N-[(1-phenylsulfanylcyclopropyl)methyl]pyridin-2-amine
CID 133296922
N-cycloheptyl-N'-(3-methyl-5-nitro-2-pyridinyl)ethane-1,2-diamine
CID 115306690
3-methyl-5-nitro-N-[(4-nitrophenyl)methyl]pyridin-2-amine
CID 62475677
3-methyl-N-(3-methylbutyl)-5-nitropyridin-2-amine
CID 62477027
2,2-difluoro-N'-(3-methyl-5-nitro-2-pyridinyl)propane-1,3-diamine
CID 114384478
2-[(3-methyl-5-nitro-2-pyridinyl)amino]-N-propan-2-ylacetamide
CID 62477037
N-benzyl-3-methyl-5-nitropyridin-2-amine
CID 58926720
3-methyl-5-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 55174948
N-[1-(aminomethyl)-2-methylcyclohexyl]-3-methyl-5-nitropyridin-2-amine
CID 115309003
1-[[(3-bromo-5-nitro-2-pyridinyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115433261
N-(3-methoxypropyl)-3-methyl-5-nitropyridin-2-amine
CID 62477722

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine?
The IUPAC name of 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine (CID 55261968) is 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine?
The canonical SMILES for 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine is Cc1cc([N+](=O)[O-])cnc1NCC1(C)CCCC1.
What is the InChIKey of 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine?
The InChIKey is WZIQCCDQYGSHJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-10-7-11(16(17)18)8-14-12(10)15-9-13(2)5-3-4-6-13/h7-8H,3-6,9H2,1-2H3,(H,14,15).
What are the key properties of 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine?
3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine has a molecular weight of 249.31 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[(1-methylcyclopentyl)methyl]-5-nitropyridin-2-amine is sourced from PubChem (CID 55261968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).