(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide

C15H17N3O — CID 2688597

IUPAC(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
SMILESN#C/C(=C\c1cccnc1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H17N3O/c16-10-13(9-12-5-4-8-17-11-12)15(19)18-14-6-2-1-3-7-14/h4-5,8-9,11,14H,1-3,6-7H2,(H,18,19)/b13-9+
InChIKeyZUZPBHFYAVOTPL-UKTHLTGXSA-N
MW255.32 g/mol
LogP2.44
Rot. Bonds3

About (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide

(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide (PubChem CID 2688597) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
PubChem CID2688597
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
SMILESN#C/C(=C\c1cccnc1)C(=O)NC1CCCCC1
InChIInChI=1S/C15H17N3O/c16-10-13(9-12-5-4-8-17-11-12)15(19)18-14-6-2-1-3-7-14/h4-5,8-9,11,14H,1-3,6-7H2,(H,18,19)/b13-9+
InChIKeyZUZPBHFYAVOTPL-UKTHLTGXSA-N
XLogP2.44
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(Z)-2-cyano-N-cyclododecyl-3-(pyridin-3-ylamino)prop-2-enamide
CID 108862706
(Z)-2-cyano-N-methyl-3-pyridin-3-ylprop-2-enamide
CID 19183466
(Z)-2-cyano-N-propan-2-yl-3-pyridin-3-ylprop-2-enamide
CID 19183690
(E)-2-cyano-N-cyclohexyl-3-(1H-pyrrolo[2,3-b]pyridin-3-yl)prop-2-enamide
CID 6859437
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 71899115
2-cyano-N-cyclohexyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
CID 4050122
(Z)-2-cyano-N-cyclohexyl-3-(pyrimidin-2-ylamino)prop-2-enamide
CID 108831470
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
methyl 4-[(E)-2-cyano-3-(cyclopentylamino)-3-oxoprop-1-enyl]benzoate
CID 17373364
(Z)-2-cyano-N-cyclopentyl-3-(4-propan-2-ylphenyl)prop-2-enamide
CID 7258087
(E)-2-cyano-N-cyclohexyl-3-(2,3,4,5,6-pentafluorophenyl)prop-2-enamide
CID 2387889
N-(4-chlorophenyl)-2-cyano-3-pyridin-3-ylprop-2-enamide
CID 4654702

Frequently Asked Questions

What is the IUPAC name of (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide (CID 2688597) is (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide is N#C/C(=C\c1cccnc1)C(=O)NC1CCCCC1.
What is the InChIKey of (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is ZUZPBHFYAVOTPL-UKTHLTGXSA-N. The full InChI is InChI=1S/C15H17N3O/c16-10-13(9-12-5-4-8-17-11-12)15(19)18-14-6-2-1-3-7-14/h4-5,8-9,11,14H,1-3,6-7H2,(H,18,19)/b13-9+.
What are the key properties of (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide?
(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 255.32 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 2688597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).