(E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide

C18H17ClN4O2 — CID 130329394

IUPAC(E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCN1C=C(c2ccncc2/C=C/C(=O)Nc2ccc(Cl)c(O)c2)CN1
InChIInChI=1S/C18H17ClN4O2/c1-23-11-13(10-21-23)15-6-7-20-9-12(15)2-5-18(25)22-14-3-4-16(19)17(24)8-14/h2-9,11,21,24H,10H2,1H3,(H,22,25)/b5-2+
InChIKeyWWJUFWYTGYXNOA-GORDUTHDSA-N
MW356.81 g/mol
LogP2.88
Rot. Bonds4

About (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide

(E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 130329394) has the molecular formula C18H17ClN4O2 and a molecular weight of 356.81 g/mol. Its IUPAC name is (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide
PubChem CID130329394
Molecular FormulaC18H17ClN4O2
Molecular Weight356.81 g/mol
Exact Mass356.10
IUPAC Name(E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCN1C=C(c2ccncc2/C=C/C(=O)Nc2ccc(Cl)c(O)c2)CN1
InChIInChI=1S/C18H17ClN4O2/c1-23-11-13(10-21-23)15-6-7-20-9-12(15)2-5-18(25)22-14-3-4-16(19)17(24)8-14/h2-9,11,21,24H,10H2,1H3,(H,22,25)/b5-2+
InChIKeyWWJUFWYTGYXNOA-GORDUTHDSA-N
XLogP2.88
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 52.88
H-Bond Donors ≤ 53
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-(3-hydroxy-4-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568665
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 126568593
(E)-N-[4-(hydroxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568458
(E)-3-(2-chlorophenyl)-N-(3,4-dichlorophenyl)prop-2-enamide
CID 966048
(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568611
(E)-N-(2,3-dihydro-1H-isoindol-5-yl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 130329338
(E)-N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568522
(E)-N-(3-methylphenyl)-3-[4-(1H-pyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 146206108
(E)-N-[4-bromo-3-(methylsulfonylmethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568709
(E)-3-(4-chloro-3-pyridinyl)-N-[3-methyl-4-(morpholin-4-ylmethyl)phenyl]prop-2-enamide
CID 126568380
(E)-N-[2-(2,2-difluoroethyl)-1,3-dihydroisoindol-5-yl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568450
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-[(2-sulfanylethylamino)methyl]phenyl]prop-2-enamide
CID 146206057

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide (CID 130329394) is (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide is CN1C=C(c2ccncc2/C=C/C(=O)Nc2ccc(Cl)c(O)c2)CN1.
What is the InChIKey of (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is WWJUFWYTGYXNOA-GORDUTHDSA-N. The full InChI is InChI=1S/C18H17ClN4O2/c1-23-11-13(10-21-23)15-6-7-20-9-12(15)2-5-18(25)22-14-3-4-16(19)17(24)8-14/h2-9,11,21,24H,10H2,1H3,(H,22,25)/b5-2+.
What are the key properties of (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
(E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide has a molecular weight of 356.81 g/mol, XLogP of 2.88, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-chloro-3-hydroxyphenyl)-3-[4-(2-methyl-1,5-dihydropyrazol-4-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 130329394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).