N-cyclohexyl-3-pyridin-3-ylprop-2-enamide

C14H18N2O — CID 71899115

IUPACN-cyclohexyl-3-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1cccnc1)NC1CCCCC1
InChIInChI=1S/C14H18N2O/c17-14(16-13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h4-5,8-11,13H,1-3,6-7H2,(H,16,17)
InChIKeyKNIRIOLNTXHLDH-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.54
Rot. Bonds3

About N-cyclohexyl-3-pyridin-3-ylprop-2-enamide

N-cyclohexyl-3-pyridin-3-ylprop-2-enamide (PubChem CID 71899115) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-cyclohexyl-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound NameN-cyclohexyl-3-pyridin-3-ylprop-2-enamide
PubChem CID71899115
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-cyclohexyl-3-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1cccnc1)NC1CCCCC1
InChIInChI=1S/C14H18N2O/c17-14(16-13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h4-5,8-11,13H,1-3,6-7H2,(H,16,17)
InChIKeyKNIRIOLNTXHLDH-UHFFFAOYSA-N
XLogP2.54
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-cycloheptyl-3-phenylprop-2-enamide
CID 6027758
(E)-N-[2-(hydroxymethyl)cyclohexyl]-3-pyridin-3-ylprop-2-enamide
CID 103798326
N-(6-oxopiperidin-3-yl)-3-pyridin-3-ylprop-2-enamide
CID 76976653
N-(3-ethylsulfanylcyclohexyl)-3-pyridin-3-ylprop-2-enamide
CID 71979347
N-cyclohexyl-1-[(E)-3-pyridin-3-ylprop-2-enoyl]piperidine-3-carboxamide
CID 75417785
(E)-2-cyano-N-cyclohexyl-3-pyridin-3-ylprop-2-enamide
CID 2688597
(E)-3-(3-bromophenyl)-N-cyclooctylprop-2-enamide
CID 2684563
(E)-N-cyclododecyl-3-(3-methoxyphenyl)prop-2-enamide
CID 27396979
(E)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 98512279
(Z)-N-[(3R)-1-(3-methoxyphenyl)piperidin-3-yl]-3-pyridin-3-ylprop-2-enamide
CID 100831445
N-methyl-3-pyridin-3-ylprop-2-enamide
CID 73116356
(E)-N-(1-cyclopentyl-2-phenylethyl)-3-pyridin-3-ylprop-2-enamide
CID 86899439

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of N-cyclohexyl-3-pyridin-3-ylprop-2-enamide (CID 71899115) is N-cyclohexyl-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for N-cyclohexyl-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for N-cyclohexyl-3-pyridin-3-ylprop-2-enamide is O=C(C=Cc1cccnc1)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-3-pyridin-3-ylprop-2-enamide?
The InChIKey is KNIRIOLNTXHLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c17-14(16-13-6-2-1-3-7-13)9-8-12-5-4-10-15-11-12/h4-5,8-11,13H,1-3,6-7H2,(H,16,17).
What are the key properties of N-cyclohexyl-3-pyridin-3-ylprop-2-enamide?
N-cyclohexyl-3-pyridin-3-ylprop-2-enamide has a molecular weight of 230.31 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 71899115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).