(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide

C14H11ClN2O — CID 47148186

IUPAC(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2O/c15-12-4-1-5-13(9-12)17-14(18)7-6-11-3-2-8-16-10-11/h1-10H,(H,17,18)/b7-6+
InChIKeyGSXQPOWZZPMRDW-VOTSOKGWSA-N
MW258.71 g/mol
LogP3.39
Rot. Bonds3

About (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide

(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide (PubChem CID 47148186) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
PubChem CID47148186
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)Nc1cccc(Cl)c1
InChIInChI=1S/C14H11ClN2O/c15-12-4-1-5-13(9-12)17-14(18)7-6-11-3-2-8-16-10-11/h1-10H,(H,17,18)/b7-6+
InChIKeyGSXQPOWZZPMRDW-VOTSOKGWSA-N
XLogP3.39
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.39
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)-3-(3-chlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 6073794
N-(3-methylphenyl)-3-pyridin-3-ylprop-2-enamide
CID 71899114
(E)-N-[3-(methylcarbamoylamino)phenyl]-3-pyridin-3-ylprop-2-enamide
CID 38160719
N-[3-[[(E)-3-(4-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 39678520
3-(3-chlorophenyl)-N-phenylprop-2-enamide
CID 4251489
3-(3-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 3527229
2-hydroxy-4-[[(E)-3-pyridin-3-ylprop-2-enoyl]amino]benzoic acid
CID 43358291
(E)-3-(3-chlorophenyl)-N-(3-iodophenyl)prop-2-enamide
CID 7928421
2-methyl-5-(3-pyridin-3-ylprop-2-enoylamino)benzoic acid
CID 77003813
N-[2-[[(E)-3-(3-chlorophenyl)prop-2-enoyl]amino]phenyl]pyridine-3-carboxamide
CID 108925411
N-(3-chlorophenyl)-3-(3-nitrophenyl)prop-2-enamide
CID 677889
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
CID 5211022

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide (CID 47148186) is (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)Nc1cccc(Cl)c1.
What is the InChIKey of (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide?
The InChIKey is GSXQPOWZZPMRDW-VOTSOKGWSA-N. The full InChI is InChI=1S/C14H11ClN2O/c15-12-4-1-5-13(9-12)17-14(18)7-6-11-3-2-8-16-10-11/h1-10H,(H,17,18)/b7-6+.
What are the key properties of (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide?
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide has a molecular weight of 258.71 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 47148186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).