3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide

C14H10Cl2N2O — CID 5211022

IUPAC3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1c(Cl)cccc1Cl)Nc1cccnc1
InChIInChI=1S/C14H10Cl2N2O/c15-12-4-1-5-13(16)11(12)6-7-14(19)18-10-3-2-8-17-9-10/h1-9H,(H,18,19)
InChIKeyZBIPXSGGLMSHJX-UHFFFAOYSA-N
MW293.15 g/mol
LogP4.04
Rot. Bonds3

About 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide

3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide (PubChem CID 5211022) has the molecular formula C14H10Cl2N2O and a molecular weight of 293.15 g/mol. Its IUPAC name is 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
PubChem CID5211022
Molecular FormulaC14H10Cl2N2O
Molecular Weight293.15 g/mol
Exact Mass292.02
IUPAC Name3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide
SMILESO=C(C=Cc1c(Cl)cccc1Cl)Nc1cccnc1
InChIInChI=1S/C14H10Cl2N2O/c15-12-4-1-5-13(16)11(12)6-7-14(19)18-10-3-2-8-17-9-10/h1-9H,(H,18,19)
InChIKeyZBIPXSGGLMSHJX-UHFFFAOYSA-N
XLogP4.04
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 54.04
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
3-(2,6-dichlorophenyl)-N-(3-methylphenyl)prop-2-enamide
CID 732081
3-[5-(2,3-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 3996225
3-(2-chloro-6-fluorophenyl)-N-pyridin-4-ylprop-2-enamide
CID 898451
(E)-N-(3-chlorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148186
3-(2,6-dichlorophenyl)-N-[4-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenoxy]phenyl]prop-2-enamide
CID 3575829
(E)-N-pyridin-3-yl-3-thiophen-2-ylprop-2-enamide
CID 879707
(E)-3-(2-chloro-6-fluorophenyl)-N-[3-[[(E)-3-(2-chloro-6-fluorophenyl)prop-2-enoyl]amino]phenyl]prop-2-enamide
CID 6265107
methyl N-[4-[3-(2,6-dichlorophenyl)prop-2-enoylamino]phenyl]carbamate
CID 55804764
(E)-3-(2-anilinopyrimidin-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 126493187
3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 1363914
(E)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-N-pyridin-3-ylprop-2-enamide
CID 1363916

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide?
The IUPAC name of 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide (CID 5211022) is 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide?
The canonical SMILES for 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide is O=C(C=Cc1c(Cl)cccc1Cl)Nc1cccnc1.
What is the InChIKey of 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide?
The InChIKey is ZBIPXSGGLMSHJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N2O/c15-12-4-1-5-13(16)11(12)6-7-14(19)18-10-3-2-8-17-9-10/h1-9H,(H,18,19).
What are the key properties of 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide?
3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide has a molecular weight of 293.15 g/mol, XLogP of 4.04, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-dichlorophenyl)-N-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 5211022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).