(2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide

C16H20N2O — CID 15605895

IUPAC(2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccn1)C1C/C1=C/C1CCCCC1
InChIInChI=1S/C16H20N2O/c19-16(18-15-8-4-5-9-17-15)14-11-13(14)10-12-6-2-1-3-7-12/h4-5,8-10,12,14H,1-3,6-7,11H2,(H,17,18,19)/b13-10-
InChIKeySYGMVACYNPNLJJ-RAXLEYEMSA-N
MW256.35 g/mol
LogP3.55
Rot. Bonds3

About (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide

(2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide (PubChem CID 15605895) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide
PubChem CID15605895
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide
SMILESO=C(Nc1ccccn1)C1C/C1=C/C1CCCCC1
InChIInChI=1S/C16H20N2O/c19-16(18-15-8-4-5-9-17-15)14-11-13(14)10-12-6-2-1-3-7-12/h4-5,8-10,12,14H,1-3,6-7,11H2,(H,17,18,19)/b13-10-
InChIKeySYGMVACYNPNLJJ-RAXLEYEMSA-N
XLogP3.55
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-but-2-enedioic acid;N-pyridin-2-ylcyclohexanecarboxamide;hydrate
CID 174341375
cis-(1R,2S)-2-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 756841
(2S)-N-pyridin-2-ylpiperidine-2-carboxamide
CID 103813189
cyclohexyl N-pyridin-2-ylcarbamate
CID 127539206
(2R)-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 103813190
(2S)-5-oxo-N-pyridin-2-ylpyrrolidine-2-carboxamide
CID 95133563
3-(pyridin-2-ylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63789939
trans-(1S,2R)-2-(hydroxymethyl)-N-pyridin-2-ylcyclopropane-1-carboxamide
CID 141282806
N-pyridin-2-yl-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline-2-carboxamide
CID 66470963
(3S)-3-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 51927409
1-(2-hydroxycyclohexyl)-3-pyridin-2-ylurea
CID 51105726
(3R)-3-N-cyclohexyl-1-N-pyridin-2-ylpiperidine-1,3-dicarboxamide
CID 95154562

Frequently Asked Questions

What is the IUPAC name of (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide?
The IUPAC name of (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide (CID 15605895) is (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide is O=C(Nc1ccccn1)C1C/C1=C/C1CCCCC1.
What is the InChIKey of (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide?
The InChIKey is SYGMVACYNPNLJJ-RAXLEYEMSA-N. The full InChI is InChI=1S/C16H20N2O/c19-16(18-15-8-4-5-9-17-15)14-11-13(14)10-12-6-2-1-3-7-12/h4-5,8-10,12,14H,1-3,6-7,11H2,(H,17,18,19)/b13-10-.
What are the key properties of (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide?
(2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide has a molecular weight of 256.35 g/mol, XLogP of 3.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(cyclohexylmethylidene)-N-pyridin-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 15605895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).