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

C15H24N4O2 — CID 106620261

IUPACN-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-3-4-10-18(11-13-6-5-8-16-13)15-14(19(20)21)12(2)7-9-17-15/h7,9,13,16H,3-6,8,10-11H2,1-2H3
InChIKeyYJADRPVJLSMIEQ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.66
Rot. Bonds7

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

N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (PubChem CID 106620261) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
PubChem CID106620261
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC NameN-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
SMILESCCCCN(CC1CCCN1)c1nccc(C)c1[N+](=O)[O-]
InChIInChI=1S/C15H24N4O2/c1-3-4-10-18(11-13-6-5-8-16-13)15-14(19(20)21)12(2)7-9-17-15/h7,9,13,16H,3-6,8,10-11H2,1-2H3
InChIKeyYJADRPVJLSMIEQ-UHFFFAOYSA-N
XLogP2.66
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.66
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 N-butyl-4-methyl-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

4-methyl-N-(2-methylpropyl)-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620566
N-butyl-1-methyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrazol-3-amine
CID 106620287
N-butyl-1,3-dimethyl-4-nitro-N-(pyrrolidin-2-ylmethyl)pyrazol-5-amine
CID 106620321
N-butyl-3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620455
3-nitro-N-(piperidin-2-ylmethyl)-N-propylpyridin-2-amine
CID 106642480
N-propyl-N-(pyrrolidin-2-ylmethyl)isoquinolin-1-amine
CID 106619613
N-butyl-3-propan-2-yloxy-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106620278
2-methyl-4-nitro-N-propyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 106619611
4-methyl-3-nitro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]pyridin-2-amine
CID 104972861
N-butyl-N-(pyrrolidin-2-ylmethyl)aniline
CID 64585394
2-[ethyl(pyrrolidin-2-ylmethyl)amino]-4-methylpyridine-3-carbonitrile
CID 106619252
4-[butyl(pyrrolidin-2-ylmethyl)amino]-5-methoxy-1H-pyrimidin-6-one
CID 136781005

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The IUPAC name of N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine (CID 106620261) is N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is CCCCN(CC1CCCN1)c1nccc(C)c1[N+](=O)[O-].
What is the InChIKey of N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
The InChIKey is YJADRPVJLSMIEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-3-4-10-18(11-13-6-5-8-16-13)15-14(19(20)21)12(2)7-9-17-15/h7,9,13,16H,3-6,8,10-11H2,1-2H3.
What are the key properties of N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine?
N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine has a molecular weight of 292.38 g/mol, XLogP of 2.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-methyl-3-nitro-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 106620261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).