N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine

C13H18N4O2 — CID 54926983

IUPACN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H18N4O2/c18-17(19)13-8-14-5-3-12(13)15-7-10-4-6-16(9-10)11-1-2-11/h3,5,8,10-11H,1-2,4,6-7,9H2,(H,14,15)
InChIKeyGALASJDOHXINFE-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.89
Rot. Bonds5

About N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine

N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine (PubChem CID 54926983) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine.

Molecular Properties

Compound NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine
PubChem CID54926983
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC NameN-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine
SMILESO=[N+]([O-])c1cnccc1NCC1CCN(C2CC2)C1
InChIInChI=1S/C13H18N4O2/c18-17(19)13-8-14-5-3-12(13)15-7-10-4-6-16(9-10)11-1-2-11/h3,5,8,10-11H,1-2,4,6-7,9H2,(H,14,15)
InChIKeyGALASJDOHXINFE-UHFFFAOYSA-N
XLogP1.89
TPSA71.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
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

N-[(1,1-dioxothiolan-2-yl)methyl]-3-nitropyridin-4-amine
CID 81039958
5-bromo-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-2-amine
CID 61227289
4-chloro-N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-5-fluoro-2-nitroaniline
CID 66079518
N-cyclopropyl-N'-(3-nitro-4-pyridinyl)ethane-1,2-diamine
CID 62663408
3-nitro-N-[(2,2,3,3-tetramethylcyclopropyl)methyl]pyridin-4-amine
CID 79363161
N-[(1-cyclopentylpyrrolidin-3-yl)methyl]pyrimidin-4-amine
CID 72907175
1-cyclopropyl-2-[(3-nitro-4-pyridinyl)amino]ethanol
CID 63239113
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-1,3-dimethyl-4-nitropyrazol-5-amine
CID 60858148
3-nitro-N-(2-thiomorpholin-4-ylethyl)pyridin-4-amine
CID 113234717
N-[(4-cyclopropylmorpholin-2-yl)methyl]-2-nitroaniline
CID 67501196
3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 104776821
4-N-(3-nitro-4-pyridinyl)cyclohexane-1,4-diamine
CID 62318502

Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine?
The IUPAC name of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine (CID 54926983) is N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine.
What is the SMILES notation for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine?
The canonical SMILES for N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine is O=[N+]([O-])c1cnccc1NCC1CCN(C2CC2)C1.
What is the InChIKey of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine?
The InChIKey is GALASJDOHXINFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c18-17(19)13-8-14-5-3-12(13)15-7-10-4-6-16(9-10)11-1-2-11/h3,5,8,10-11H,1-2,4,6-7,9H2,(H,14,15).
What are the key properties of N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine?
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine has a molecular weight of 262.31 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 N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-3-nitropyridin-4-amine is sourced from PubChem (CID 54926983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).