(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

C24H20N4O2 — CID 60581339

IUPAC(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)ccc1Oc1cccnc1
InChIInChI=1S/C24H20N4O2/c1-18-14-20(10-11-23(18)30-22-8-5-13-25-16-22)27-24(29)12-9-19-15-26-28(17-19)21-6-3-2-4-7-21/h2-17H,1H3,(H,27,29)/b12-9+
InChIKeyVAHFQMLFYLYCCM-FMIVXFBMSA-N
MW396.45 g/mol
LogP5.02
Rot. Bonds6

About (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide

(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (PubChem CID 60581339) has the molecular formula C24H20N4O2 and a molecular weight of 396.45 g/mol. Its IUPAC name is (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
PubChem CID60581339
Molecular FormulaC24H20N4O2
Molecular Weight396.45 g/mol
Exact Mass396.16
IUPAC Name(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
SMILESCc1cc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)ccc1Oc1cccnc1
InChIInChI=1S/C24H20N4O2/c1-18-14-20(10-11-23(18)30-22-8-5-13-25-16-22)27-24(29)12-9-19-15-26-28(17-19)21-6-3-2-4-7-21/h2-17H,1H3,(H,27,29)/b12-9+
InChIKeyVAHFQMLFYLYCCM-FMIVXFBMSA-N
XLogP5.02
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.45
LogP ≤ 55.02
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)-3-[4-(dimethylamino)phenyl]-N-(3-methyl-4-pyridin-3-yloxyphenyl)prop-2-enamide
CID 166194257
methyl 4-[3-(3-methyl-4-pyridin-3-yloxyanilino)-3-oxoprop-1-enyl]benzoate
CID 76870076
(E)-3-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylprop-2-enamide
CID 37217328
1-(3-methyl-4-phenoxyphenyl)-3-(1-phenylpyrazol-4-yl)urea
CID 139434229
ethyl (E)-3-[4-[[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]phenyl]prop-2-enoate
CID 27902755
(E)-N-(3-methylsulfanylphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 9072683
N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-phenylprop-2-ynamide
CID 166220719
ethyl 1-methyl-4-[[(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]amino]pyrrole-2-carboxylate
CID 97359534
(E)-N-[4-[(2,6-dimethylphenyl)sulfamoyl]phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55864211
(E)-N-(3-oxo-1,2-dihydroisoindol-5-yl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 51099796
5-ethyl-N-(3-methyl-4-pyridin-3-yloxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 60581323
(E)-N-[3-(3-cyanopropoxy)phenyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 55879470

Frequently Asked Questions

What is the IUPAC name of (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The IUPAC name of (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide (CID 60581339) is (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide.
What is the SMILES notation for (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The canonical SMILES for (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is Cc1cc(NC(=O)/C=C/c2cnn(-c3ccccc3)c2)ccc1Oc1cccnc1.
What is the InChIKey of (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
The InChIKey is VAHFQMLFYLYCCM-FMIVXFBMSA-N. The full InChI is InChI=1S/C24H20N4O2/c1-18-14-20(10-11-23(18)30-22-8-5-13-25-16-22)27-24(29)12-9-19-15-26-28(17-19)21-6-3-2-4-7-21/h2-17H,1H3,(H,27,29)/b12-9+.
What are the key properties of (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide?
(E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide has a molecular weight of 396.45 g/mol, XLogP of 5.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(3-methyl-4-pyridin-3-yloxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-enamide is sourced from PubChem (CID 60581339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).