[(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate

C19H18ClN3O2 — CID 24753086

IUPAC[(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O/N=C1\CCCC\C1=C/c1ccccn1
InChIInChI=1S/C19H18ClN3O2/c20-15-7-5-9-17(13-15)22-19(24)25-23-18-10-2-1-6-14(18)12-16-8-3-4-11-21-16/h3-5,7-9,11-13H,1-2,6,10H2,(H,22,24)/b14-12+,23-18+
InChIKeyCXDXNQJPDLROJH-UWKYVTNMSA-N
MW355.83 g/mol
LogP5.30
Rot. Bonds3

About [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate

[(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate (PubChem CID 24753086) has the molecular formula C19H18ClN3O2 and a molecular weight of 355.83 g/mol. Its IUPAC name is [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate.

Molecular Properties

Compound Name[(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate
PubChem CID24753086
Molecular FormulaC19H18ClN3O2
Molecular Weight355.83 g/mol
Exact Mass355.11
IUPAC Name[(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate
SMILESO=C(Nc1cccc(Cl)c1)O/N=C1\CCCC\C1=C/c1ccccn1
InChIInChI=1S/C19H18ClN3O2/c20-15-7-5-9-17(13-15)22-19(24)25-23-18-10-2-1-6-14(18)12-16-8-3-4-11-21-16/h3-5,7-9,11-13H,1-2,6,10H2,(H,22,24)/b14-12+,23-18+
InChIKeyCXDXNQJPDLROJH-UWKYVTNMSA-N
XLogP5.30
TPSA63.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.83
LogP ≤ 55.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[(E)-2,3-dihydroinden-1-ylideneamino] N-(3-chlorophenyl)carbamate
CID 5404037
[(E)-[phenyl(pyridin-2-yl)methylidene]amino] N-(3-chlorophenyl)carbamate
CID 5340619
(E)-N-(3-chlorophenyl)-2-cyano-3-pyridin-2-ylprop-2-enamide
CID 29021882
(benzhydrylideneamino) N-(3-chlorophenyl)carbamate
CID 3836525
[(2,2,6,6-tetramethylpiperidin-4-ylidene)amino] N-(3-chlorophenyl)carbamate
CID 12523217
methyl N-(3-chlorophenyl)carbamate
CID 16529
2,2-dichloroethenyl N-(3-chlorophenyl)carbamate
CID 14150192
(2S)-2-(3-chloroanilino)-N-[(Z)-pyridin-2-ylmethylideneamino]propanamide
CID 5397493
[(2,4-dichloro-1,3-thiazol-5-yl)methylideneamino] N-(3-chlorophenyl)carbamate
CID 2778820
cyclohexylmethyl N-(3-chlorophenyl)carbamate
CID 27108719
[2-(3-chloroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 1088651
N-(3-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874701

Frequently Asked Questions

What is the IUPAC name of [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate?
The IUPAC name of [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate (CID 24753086) is [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate.
What is the SMILES notation for [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate?
The canonical SMILES for [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate is O=C(Nc1cccc(Cl)c1)O/N=C1\CCCC\C1=C/c1ccccn1.
What is the InChIKey of [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate?
The InChIKey is CXDXNQJPDLROJH-UWKYVTNMSA-N. The full InChI is InChI=1S/C19H18ClN3O2/c20-15-7-5-9-17(13-15)22-19(24)25-23-18-10-2-1-6-14(18)12-16-8-3-4-11-21-16/h3-5,7-9,11-13H,1-2,6,10H2,(H,22,24)/b14-12+,23-18+.
What are the key properties of [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate?
[(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate has a molecular weight of 355.83 g/mol, XLogP of 5.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-[(2E)-2-(pyridin-2-ylmethylidene)cyclohexylidene]amino] N-(3-chlorophenyl)carbamate is sourced from PubChem (CID 24753086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).