3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile

C11H12BrN3 — CID 104776567

IUPAC3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1ccncc1Br)C1CC1
InChIInChI=1S/C11H12BrN3/c12-10-8-14-6-4-11(10)15(7-1-5-13)9-2-3-9/h4,6,8-9H,1-3,7H2
InChIKeyPKFXVUWAHZEZDX-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.73
Rot. Bonds4

About 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile

3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile (PubChem CID 104776567) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile
PubChem CID104776567
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile
SMILESN#CCCN(c1ccncc1Br)C1CC1
InChIInChI=1S/C11H12BrN3/c12-10-8-14-6-4-11(10)15(7-1-5-13)9-2-3-9/h4,6,8-9H,1-3,7H2
InChIKeyPKFXVUWAHZEZDX-UHFFFAOYSA-N
XLogP2.73
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-bromo-4-pyridinyl)-cyclohexylamino]ethanol
CID 113452105
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]-N'-hydroxypropanimidamide
CID 104776684
3-[2-bromo-N-cyclopropyl-4-[(1S)-1-hydroxyethyl]anilino]propanenitrile
CID 78940580
3-[cyclopropyl(quinolin-4-yl)amino]propanenitrile
CID 54997270
3-[(7-chloroquinolin-4-yl)-cyclopropylamino]propanenitrile
CID 54997318
2-[(3-bromo-4-pyridinyl)-cyclopentylamino]acetamide
CID 104778295
3-[4-(bromomethyl)-2-chloro-N-cyclopropylanilino]propanenitrile
CID 107081880
N-(2-bromoethyl)-N-cyclopentyl-3-methylpyridin-4-amine
CID 80668501
3-(N-cyclopropyl-4-fluoro-2-formylanilino)propanenitrile
CID 54997247
3-[(3-bromo-4-pyridinyl)-methylamino]butanenitrile
CID 104776572
3-[N-cyclopropyl-2-[(1S)-1-hydroxyethyl]anilino]propanenitrile
CID 78940577
3-[cyclopropyl-(3-nitro-2-pyridinyl)amino]propanenitrile
CID 54997173

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile (CID 104776567) is 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile is N#CCCN(c1ccncc1Br)C1CC1.
What is the InChIKey of 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile?
The InChIKey is PKFXVUWAHZEZDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c12-10-8-14-6-4-11(10)15(7-1-5-13)9-2-3-9/h4,6,8-9H,1-3,7H2.
What are the key properties of 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile?
3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile has a molecular weight of 266.14 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromo-4-pyridinyl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 104776567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).