4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

C15H24N4O2 — CID 106620566

IUPAC4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(N(CC(C)C)CC2CCCN2)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-11(2)9-18(10-13-5-4-7-16-13)15-14(19(20)21)12(3)6-8-17-15/h6,8,11,13,16H,4-5,7,9-10H2,1-3H3
InChIKeySTSDSBHZNJKACB-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.51
Rot. Bonds6

About 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine

4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620566) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620566
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCc1ccnc(N(CC(C)C)CC2CCCN2)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-11(2)9-18(10-13-5-4-7-16-13)15-14(19(20)21)12(3)6-8-17-15/h6,8,11,13,16H,4-5,7,9-10H2,1-3H3
InChIKeySTSDSBHZNJKACB-UHFFFAOYSA-N
XLogP2.51
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.51
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 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-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

N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620261
N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106620644
4-methyl-N-(2-methylpropyl)-2-nitro-N-(pyrrolidin-2-ylmethyl)aniline
CID 106620616
3-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyrazine-2-carboxamide
CID 106620765
3-methoxy-N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620786
4-methyl-3-nitro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 79705470
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972861
6-methyl-2-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]pyridine-3-carbonitrile
CID 106620667
5-chloro-4-[2-methylpropyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781021
N-(cyclopropylmethyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620104
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinazolin-4-amine
CID 106620526
N-(2-methylpropyl)-N-(pyrrolidin-2-ylmethyl)quinolin-4-amine
CID 106620738

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620566) is 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is Cc1ccnc(N(CC(C)C)CC2CCCN2)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is STSDSBHZNJKACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-11(2)9-18(10-13-5-4-7-16-13)15-14(19(20)21)12(3)6-8-17-15/h6,8,11,13,16H,4-5,7,9-10H2,1-3H3.
What are the key properties of 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).