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

C12H18N4O2 — CID 63304533

IUPAC4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCCN(c1cc([N+](=O)[O-])ccn1)C1CCNC1
InChIInChI=1S/C12H18N4O2/c1-2-7-15(11-3-5-13-9-11)12-8-10(16(17)18)4-6-14-12/h4,6,8,11,13H,2-3,5,7,9H2,1H3
InChIKeyANFQGDWHQUYMGS-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.57
Rot. Bonds5

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

4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine (PubChem CID 63304533) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine.

Molecular Properties

Compound Name4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
PubChem CID63304533
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
SMILESCCCN(c1cc([N+](=O)[O-])ccn1)C1CCNC1
InChIInChI=1S/C12H18N4O2/c1-2-7-15(11-3-5-13-9-11)12-8-10(16(17)18)4-6-14-12/h4,6,8,11,13H,2-3,5,7,9H2,1H3
InChIKeyANFQGDWHQUYMGS-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
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-methyl-5-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 79175870
4-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-2-amine
CID 79719766
N-ethyl-4-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719680
6-methyl-3-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 81135778
N-(2-bromo-4-nitrophenyl)-N-propylpiperidin-3-amine
CID 63637187
5-nitro-2-[piperidin-3-yl(propyl)amino]benzonitrile
CID 63637009
N-[(2-methoxy-5-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine
CID 63304118
6-methylsulfanyl-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 106973223
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
N-[(3-nitrophenyl)methyl]-N-propylpyrrolidin-3-amine;hydrochloride
CID 119921376
6-chloro-N-propyl-N-pyrrolidin-3-ylpyridazin-3-amine
CID 63304490
4-nitro-2-pyrrolidin-3-yloxypyridine
CID 62349345

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The IUPAC name of 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine (CID 63304533) is 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine.
What is the SMILES notation for 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The canonical SMILES for 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine is CCCN(c1cc([N+](=O)[O-])ccn1)C1CCNC1.
What is the InChIKey of 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
The InChIKey is ANFQGDWHQUYMGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-2-7-15(11-3-5-13-9-11)12-8-10(16(17)18)4-6-14-12/h4,6,8,11,13H,2-3,5,7,9H2,1H3.
What are the key properties of 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine?
4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine has a molecular weight of 250.30 g/mol, XLogP of 1.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine is sourced from PubChem (CID 63304533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).