5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

C12H18N4O2 — CID 83268380

IUPAC5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCc1cnc(NCCN2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-10-9-14-12(8-11(10)16(17)18)13-4-7-15-5-2-3-6-15/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyBGRBQYCAFOJXTL-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.81
Rot. Bonds5

About 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine

5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (PubChem CID 83268380) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
PubChem CID83268380
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine
SMILESCc1cnc(NCCN2CCCC2)cc1[N+](=O)[O-]
InChIInChI=1S/C12H18N4O2/c1-10-9-14-12(8-11(10)16(17)18)13-4-7-15-5-2-3-6-15/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyBGRBQYCAFOJXTL-UHFFFAOYSA-N
XLogP1.81
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.81
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 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)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

5-methyl-N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-nitropyridin-2-amine
CID 83266893
4-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-nitropyridin-2-amine
CID 79173443
N-[2-(azepan-1-yl)ethyl]-4-methyl-3-nitroaniline
CID 62910380
N-ethyl-5-methyl-4-nitropyridin-2-amine
CID 15372751
4-[(5-methyl-4-nitro-2-pyridinyl)amino]butan-1-ol
CID 106842603
5-methyl-4-nitro-N-(3,3,3-trifluoropropyl)pyridin-2-amine
CID 83267804
5-methyl-N-[2-(2-methylpyrazol-3-yl)ethyl]-4-nitropyridin-2-amine
CID 103007831
4-methyl-N-(3-morpholin-4-ylpropyl)-5-nitropyridin-2-amine
CID 79173434
2-[(5-methyl-4-nitro-2-pyridinyl)amino]ethanesulfonamide
CID 83268563
N-[(1-ethylpiperidin-4-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 83266650
3-bromo-4-methyl-5-nitro-N-(2-piperidin-1-ylethyl)pyridin-2-amine
CID 104507908
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methyl-5-nitropyridin-2-amine
CID 133339472

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The IUPAC name of 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine (CID 83268380) is 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine.
What is the SMILES notation for 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The canonical SMILES for 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is Cc1cnc(NCCN2CCCC2)cc1[N+](=O)[O-].
What is the InChIKey of 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
The InChIKey is BGRBQYCAFOJXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10-9-14-12(8-11(10)16(17)18)13-4-7-15-5-2-3-6-15/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine?
5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-nitro-N-(2-pyrrolidin-1-ylethyl)pyridin-2-amine is sourced from PubChem (CID 83268380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).