(E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide

C11H13ClN2O — CID 75362919

IUPAC(E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide
SMILESCCN(C)C(=O)/C=C/c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-3-14(2)11(15)5-4-9-6-7-13-10(12)8-9/h4-8H,3H2,1-2H3/b5-4+
InChIKeyCFINDMLFVHTVOP-SNAWJCMRSA-N
MW224.69 g/mol
LogP2.23
Rot. Bonds3

About (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide

(E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide (PubChem CID 75362919) has the molecular formula C11H13ClN2O and a molecular weight of 224.69 g/mol. Its IUPAC name is (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide.

Molecular Properties

Compound Name(E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide
PubChem CID75362919
Molecular FormulaC11H13ClN2O
Molecular Weight224.69 g/mol
Exact Mass224.07
IUPAC Name(E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide
SMILESCCN(C)C(=O)/C=C/c1ccnc(Cl)c1
InChIInChI=1S/C11H13ClN2O/c1-3-14(2)11(15)5-4-9-6-7-13-10(12)8-9/h4-8H,3H2,1-2H3/b5-4+
InChIKeyCFINDMLFVHTVOP-SNAWJCMRSA-N
XLogP2.23
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.69
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76929626
3-(6-chloro-3-pyridinyl)-N,N-dimethylprop-2-enamide
CID 87138561
2-[(2-chloro-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103112969
methyl 3-[3-(3,4-dichlorophenyl)prop-2-enoyl-methylamino]propanoate
CID 76909923
3-(2-chloro-4-pyridinyl)-N-(4-methyl-1,3-thiazol-2-yl)prop-2-enamide
CID 71846391
(Z)-3-(3-chloro-4-fluorophenyl)-N,N-diethylprop-2-enamide
CID 97305606
2-[(2-chloro-4-pyridinyl)-ethylamino]-N,N-dimethylacetamide
CID 102824069
4-(2-chloro-4-pyridinyl)-N-methylbut-3-en-1-amine
CID 170495263
ethyl 2-[3-(3-chloro-4-fluorophenyl)prop-2-enoyl-methylamino]acetate
CID 76912232
3-[[(E)-3-(3,4-dichlorophenyl)prop-2-enoyl]-ethylamino]propanoic acid
CID 61008261
(Z)-4-(2-methyl-4-pyridinyl)but-3-en-2-one
CID 118346777
3-(3-hydroxy-4-methoxyphenyl)-N-methyl-N-(1,3-thiazol-2-ylmethyl)prop-2-enamide
CID 127265721

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide?
The IUPAC name of (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide (CID 75362919) is (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide.
What is the SMILES notation for (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide?
The canonical SMILES for (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide is CCN(C)C(=O)/C=C/c1ccnc(Cl)c1.
What is the InChIKey of (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide?
The InChIKey is CFINDMLFVHTVOP-SNAWJCMRSA-N. The full InChI is InChI=1S/C11H13ClN2O/c1-3-14(2)11(15)5-4-9-6-7-13-10(12)8-9/h4-8H,3H2,1-2H3/b5-4+.
What are the key properties of (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide?
(E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide has a molecular weight of 224.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2-chloro-4-pyridinyl)-N-ethyl-N-methylprop-2-enamide is sourced from PubChem (CID 75362919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).