(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide

C19H17FN4O2 — CID 126568611

IUPAC(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2cnccc2-c2cnn(C)c2)ccc1F
InChIInChI=1S/C19H17FN4O2/c1-24-12-14(11-22-24)16-7-8-21-10-13(16)3-6-19(25)23-15-4-5-17(20)18(9-15)26-2/h3-12H,1-2H3,(H,23,25)/b6-3+
InChIKeyHNABWZFNIHWSTM-ZZXKWVIFSA-N
MW352.37 g/mol
LogP3.28
Rot. Bonds5

About (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide

(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide (PubChem CID 126568611) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
PubChem CID126568611
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
SMILESCOc1cc(NC(=O)/C=C/c2cnccc2-c2cnn(C)c2)ccc1F
InChIInChI=1S/C19H17FN4O2/c1-24-12-14(11-22-24)16-7-8-21-10-13(16)3-6-19(25)23-15-4-5-17(20)18(9-15)26-2/h3-12H,1-2H3,(H,23,25)/b6-3+
InChIKeyHNABWZFNIHWSTM-ZZXKWVIFSA-N
XLogP3.28
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.28
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-(3-hydroxy-4-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568665
(E)-N-[4-(hydroxymethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568458
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)prop-2-enamide
CID 126568593
(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)-N-[4-(3,3-difluoroazetidin-1-yl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568522
(E)-N-[4-bromo-3-(methylsulfonylmethyl)phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568709
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[4-[(2-sulfanylethylamino)methyl]phenyl]prop-2-enamide
CID 146206057
(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2,2,2-trifluoroethyl)-2,3-dihydroindol-5-yl]prop-2-enamide
CID 126568394
3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 140772800
(E)-N-[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568868
(E)-N-[4-[(3-hydroxypyrrolidin-1-yl)methyl]phenyl]-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide
CID 126568469
5-[[(E)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enoyl]amino]thiophene-2-carboxamide
CID 126568637

Frequently Asked Questions

What is the IUPAC name of (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The IUPAC name of (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide (CID 126568611) is (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide.
What is the SMILES notation for (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The canonical SMILES for (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide is COc1cc(NC(=O)/C=C/c2cnccc2-c2cnn(C)c2)ccc1F.
What is the InChIKey of (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
The InChIKey is HNABWZFNIHWSTM-ZZXKWVIFSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-24-12-14(11-22-24)16-7-8-21-10-13(16)3-6-19(25)23-15-4-5-17(20)18(9-15)26-2/h3-12H,1-2H3,(H,23,25)/b6-3+.
What are the key properties of (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide?
(E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide has a molecular weight of 352.37 g/mol, XLogP of 3.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(4-fluoro-3-methoxyphenyl)-3-[4-(1-methylpyrazol-4-yl)-3-pyridinyl]prop-2-enamide is sourced from PubChem (CID 126568611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).