6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine

C12H18N4O2 — CID 78993003

IUPAC6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
SMILESCC(CNc1ccc([N+](=O)[O-])nc1)N1CCCC1
InChIInChI=1S/C12H18N4O2/c1-10(15-6-2-3-7-15)8-13-11-4-5-12(14-9-11)16(17)18/h4-5,9-10,13H,2-3,6-8H2,1H3
InChIKeyGSELCXVPNLKHTG-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.89
Rot. Bonds5

About 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine

6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine (PubChem CID 78993003) has the molecular formula C12H18N4O2 and a molecular weight of 250.30 g/mol. Its IUPAC name is 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine.

Molecular Properties

Compound Name6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
PubChem CID78993003
Molecular FormulaC12H18N4O2
Molecular Weight250.30 g/mol
Exact Mass250.14
IUPAC Name6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine
SMILESCC(CNc1ccc([N+](=O)[O-])nc1)N1CCCC1
InChIInChI=1S/C12H18N4O2/c1-10(15-6-2-3-7-15)8-13-11-4-5-12(14-9-11)16(17)18/h4-5,9-10,13H,2-3,6-8H2,1H3
InChIKeyGSELCXVPNLKHTG-UHFFFAOYSA-N
XLogP1.89
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 ≤ 51.89
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

5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899460
4-methyl-3-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 62912812
2-nitro-5-(2-pyrrolidin-1-ylpropylamino)benzonitrile
CID 115500440
1-N-(6-nitro-3-pyridinyl)butane-1,2-diamine
CID 63730786
3-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 54899365
5-methyl-3-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-2-amine
CID 79035165
N-[(1-methylcyclopropyl)methyl]-6-nitropyridin-3-amine
CID 103724988
4-methyl-5-nitro-N-(2-piperidin-1-ylpropyl)pyridin-2-amine
CID 79173745
2-nitro-N-(2-piperidin-1-ylpropyl)aniline
CID 61018070
4-(2-piperidin-1-ylpropylamino)benzenesulfonamide
CID 61017318
N-(2-ethylhexyl)-6-nitropyridin-3-amine
CID 103614336
N-methyl-N'-(6-nitro-3-pyridinyl)ethane-1,2-diamine
CID 62658550

Frequently Asked Questions

What is the IUPAC name of 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine?
The IUPAC name of 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine (CID 78993003) is 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine.
What is the SMILES notation for 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine?
The canonical SMILES for 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine is CC(CNc1ccc([N+](=O)[O-])nc1)N1CCCC1.
What is the InChIKey of 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine?
The InChIKey is GSELCXVPNLKHTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O2/c1-10(15-6-2-3-7-15)8-13-11-4-5-12(14-9-11)16(17)18/h4-5,9-10,13H,2-3,6-8H2,1H3.
What are the key properties of 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine?
6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine has a molecular weight of 250.30 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-N-(2-pyrrolidin-1-ylpropyl)pyridin-3-amine is sourced from PubChem (CID 78993003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).