3-(dimethylamino)-3-pyridin-4-ylpropanenitrile

C10H13N3 — CID 116909988

IUPAC3-(dimethylamino)-3-pyridin-4-ylpropanenitrile
SMILESCN(C)C(CC#N)c1ccncc1
InChIInChI=1S/C10H13N3/c1-13(2)10(3-6-11)9-4-7-12-8-5-9/h4-5,7-8,10H,3H2,1-2H3
InChIKeyXESUTMSPVAACOE-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.60
Rot. Bonds3

About 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile

3-(dimethylamino)-3-pyridin-4-ylpropanenitrile (PubChem CID 116909988) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile.

Molecular Properties

Compound Name3-(dimethylamino)-3-pyridin-4-ylpropanenitrile
PubChem CID116909988
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name3-(dimethylamino)-3-pyridin-4-ylpropanenitrile
SMILESCN(C)C(CC#N)c1ccncc1
InChIInChI=1S/C10H13N3/c1-13(2)10(3-6-11)9-4-7-12-8-5-9/h4-5,7-8,10H,3H2,1-2H3
InChIKeyXESUTMSPVAACOE-UHFFFAOYSA-N
XLogP1.60
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(dimethylamino)-3-pyridin-4-ylpropanoic acid
CID 82125760
3-(3-chloro-4-fluorophenyl)-3-(dimethylamino)propanenitrile
CID 116909949
3-(5-chloro-2-fluorophenyl)-3-(dimethylamino)propanenitrile
CID 116909950
3-(dimethylamino)-3-(2,5-dimethylphenyl)propanenitrile
CID 116909868
3-(dimethylamino)-3-(4-methoxy-3-propan-2-ylphenyl)propanenitrile
CID 116909895
5-[[(1R)-1-pyridin-4-ylethyl]amino]pentanenitrile
CID 81410148
4-(dimethylamino)-4-phenylbutanenitrile
CID 116910022
3-[ethyl(pyridin-4-ylmethyl)amino]butanenitrile
CID 61450672
3-(dimethylamino)-3-(2-methoxy-4-propan-2-ylphenyl)propanenitrile
CID 116909931
3-(1-benzofuran-3-yl)-3-(dimethylamino)propanenitrile
CID 116909994
3-(dimethylamino)-3-(2-methyl-3-oxo-4H-1,4-benzoxazin-6-yl)propanenitrile
CID 116909945
N-methyl-N-(1-pyridin-4-ylpropyl)acetamide
CID 170313482

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile?
The IUPAC name of 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile (CID 116909988) is 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile.
What is the SMILES notation for 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile?
The canonical SMILES for 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile is CN(C)C(CC#N)c1ccncc1.
What is the InChIKey of 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile?
The InChIKey is XESUTMSPVAACOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(2)10(3-6-11)9-4-7-12-8-5-9/h4-5,7-8,10H,3H2,1-2H3.
What are the key properties of 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile?
3-(dimethylamino)-3-pyridin-4-ylpropanenitrile has a molecular weight of 175.24 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-3-pyridin-4-ylpropanenitrile is sourced from PubChem (CID 116909988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).