4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine

C13H20N4O2 — CID 79175870

IUPAC4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCCN(c1cc(C)c([N+](=O)[O-])cn1)C1CCNC1
InChIInChI=1S/C13H20N4O2/c1-3-6-16(11-4-5-14-8-11)13-7-10(2)12(9-15-13)17(18)19/h7,9,11,14H,3-6,8H2,1-2H3
InChIKeyJWBSDYZRWMVJIO-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.88
Rot. Bonds5

About 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine

4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 79175870) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID79175870
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCCN(c1cc(C)c([N+](=O)[O-])cn1)C1CCNC1
InChIInChI=1S/C13H20N4O2/c1-3-6-16(11-4-5-14-8-11)13-7-10(2)12(9-15-13)17(18)19/h7,9,11,14H,3-6,8H2,1-2H3
InChIKeyJWBSDYZRWMVJIO-UHFFFAOYSA-N
XLogP1.88
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.88
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'}

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Related Compounds

4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304533
N-(azetidin-3-yl)-N,4-dimethyl-5-nitropyridin-2-amine
CID 79176539
N-cyclopropyl-4-methyl-5-nitro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643758
6-methyl-3-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 81135778
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
5-methyl-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 106550166
N-ethyl-N-(2-methyl-6-nitrophenyl)pyrrolidin-3-amine
CID 115553862
N-(4-fluoro-5-methyl-2-nitrophenyl)-N-propylpiperidin-3-amine
CID 103594171
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
N-[2-(aminomethyl)cyclopentyl]-N-ethyl-4-methyl-5-nitropyridin-2-amine
CID 79176166
N-ethyl-3-nitro-N-pyrrolidin-3-ylquinolin-4-amine
CID 103964777

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine (CID 79175870) is 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine is CCCN(c1cc(C)c([N+](=O)[O-])cn1)C1CCNC1.
What is the InChIKey of 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is JWBSDYZRWMVJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-3-6-16(11-4-5-14-8-11)13-7-10(2)12(9-15-13)17(18)19/h7,9,11,14H,3-6,8H2,1-2H3.
What are the key properties of 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 264.33 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 79175870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).