(Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile

C18H17N3 — CID 38864631

IUPAC(Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccccn1
InChIInChI=1S/C18H17N3/c19-14-16(18-5-1-2-10-20-18)13-15-6-8-17(9-7-15)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2/b16-13+
InChIKeyJHEIQDIEWRHXCH-DTQAZKPQSA-N
MW275.36 g/mol
LogP3.75
Rot. Bonds3

About (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile

(Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile (PubChem CID 38864631) has the molecular formula C18H17N3 and a molecular weight of 275.36 g/mol. Its IUPAC name is (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
PubChem CID38864631
Molecular FormulaC18H17N3
Molecular Weight275.36 g/mol
Exact Mass275.14
IUPAC Name(Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccccn1
InChIInChI=1S/C18H17N3/c19-14-16(18-5-1-2-10-20-18)13-15-6-8-17(9-7-15)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2/b16-13+
InChIKeyJHEIQDIEWRHXCH-DTQAZKPQSA-N
XLogP3.75
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Related Compounds

(E)-2-phenyl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile
CID 21234790
2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 974306
(E)-2-(2-fluorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 2219144
(Z)-3-naphthalen-2-yl-2-pyridin-2-ylprop-2-enenitrile
CID 6164885
(E)-3-[4-(difluoromethoxy)phenyl]-2-pyridin-2-ylprop-2-enenitrile
CID 74766491
(Z)-2-(1H-benzimidazol-2-yl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 78785860
(Z)-2-pyridin-2-yl-3-thiophen-3-ylprop-2-enenitrile
CID 7911576
(Z)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-pyridin-2-ylprop-2-enenitrile
CID 6109259
3-(2,6-dichlorophenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 3664547
2-(3-bromophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
CID 2915679
3-(4-morpholin-4-ylphenyl)-2-phenylprop-2-enenitrile
CID 892246
3-(4-pentoxyphenyl)-2-pyridin-2-ylprop-2-enenitrile
CID 75849804

Frequently Asked Questions

What is the IUPAC name of (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile (CID 38864631) is (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccccn1.
What is the InChIKey of (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile?
The InChIKey is JHEIQDIEWRHXCH-DTQAZKPQSA-N. The full InChI is InChI=1S/C18H17N3/c19-14-16(18-5-1-2-10-20-18)13-15-6-8-17(9-7-15)21-11-3-4-12-21/h1-2,5-10,13H,3-4,11-12H2/b16-13+.
What are the key properties of (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile?
(Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile has a molecular weight of 275.36 g/mol, XLogP of 3.75, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-pyridin-2-yl-3-(4-pyrrolidin-1-ylphenyl)prop-2-enenitrile is sourced from PubChem (CID 38864631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).