(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

C17H17ClN2O4 — CID 807662

IUPAC(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC
InChIInChI=1S/C17H17ClN2O4/c1-22-13-8-11(9-14(23-2)17(13)24-3)4-7-16(21)20-15-6-5-12(18)10-19-15/h4-10H,1-3H3,(H,19,20,21)/b7-4+
InChIKeyPKVWCQMMKMRAPP-QPJJXVBHSA-N
MW348.79 g/mol
LogP3.41
Rot. Bonds6

About (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide

(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (PubChem CID 807662) has the molecular formula C17H17ClN2O4 and a molecular weight of 348.79 g/mol. Its IUPAC name is (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
PubChem CID807662
Molecular FormulaC17H17ClN2O4
Molecular Weight348.79 g/mol
Exact Mass348.09
IUPAC Name(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
SMILESCOc1cc(/C=C/C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC
InChIInChI=1S/C17H17ClN2O4/c1-22-13-8-11(9-14(23-2)17(13)24-3)4-7-16(21)20-15-6-5-12(18)10-19-15/h4-10H,1-3H3,(H,19,20,21)/b7-4+
InChIKeyPKVWCQMMKMRAPP-QPJJXVBHSA-N
XLogP3.41
TPSA69.68 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.79
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-(5-chloro-2-pyridinyl)-3-[4-(difluoromethoxy)-3-methoxyphenyl]prop-2-enamide
CID 33327682
N-(5-chloro-2-pyridinyl)-3,4,5-trimethoxybenzamide
CID 673854
(E)-N-(5-chloro-2-pyridinyl)-3-(3,5-ditert-butyl-4-hydroxyphenyl)prop-2-enamide
CID 10150578
(E)-N-pyridin-4-yl-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 807639
N-(3-chlorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 716117
N,3-bis(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 78566887
(E)-N-[5-(4-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 16800684
(E)-3-(3,4,5-trimethoxyphenyl)-N-[4-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]phenyl]prop-2-enamide
CID 135359711
(E)-N-(4-acetamidophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 6212261
(E)-3-(3-chloro-4,5-dimethoxyphenyl)-N-(4-chloro-2-fluorophenyl)prop-2-enamide
CID 9097467
N-(2,6-difluorophenyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 75618952
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] 3,4,5-trimethoxybenzoate
CID 2572190

Frequently Asked Questions

What is the IUPAC name of (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The IUPAC name of (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide (CID 807662) is (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide.
What is the SMILES notation for (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The canonical SMILES for (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is COc1cc(/C=C/C(=O)Nc2ccc(Cl)cn2)cc(OC)c1OC.
What is the InChIKey of (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
The InChIKey is PKVWCQMMKMRAPP-QPJJXVBHSA-N. The full InChI is InChI=1S/C17H17ClN2O4/c1-22-13-8-11(9-14(23-2)17(13)24-3)4-7-16(21)20-15-6-5-12(18)10-19-15/h4-10H,1-3H3,(H,19,20,21)/b7-4+.
What are the key properties of (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide?
(E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide has a molecular weight of 348.79 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(5-chloro-2-pyridinyl)-3-(3,4,5-trimethoxyphenyl)prop-2-enamide is sourced from PubChem (CID 807662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).