1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane

C22H29FN2O — CID 144916872

IUPAC1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane
SMILESC=C(C)Nc1cc(C(CCC2CC2)n2ccccc2=O)ccc1F.CC
InChIInChI=1S/C20H23FN2O.C2H6/c1-14(2)22-18-13-16(9-10-17(18)21)19(11-8-15-6-7-15)23-12-4-3-5-20(23)24;1-2/h3-5,9-10,12-13,15,19,22H,1,6-8,11H2,2H3;1-2H3
InChIKeyJGFISILALNQMBA-UHFFFAOYSA-N
MW356.49 g/mol
LogP5.74
Rot. Bonds7

About 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane

1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane (PubChem CID 144916872) has the molecular formula C22H29FN2O and a molecular weight of 356.49 g/mol. Its IUPAC name is 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane.

Molecular Properties

Compound Name1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane
PubChem CID144916872
Molecular FormulaC22H29FN2O
Molecular Weight356.49 g/mol
Exact Mass356.23
IUPAC Name1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane
SMILESC=C(C)Nc1cc(C(CCC2CC2)n2ccccc2=O)ccc1F.CC
InChIInChI=1S/C20H23FN2O.C2H6/c1-14(2)22-18-13-16(9-10-17(18)21)19(11-8-15-6-7-15)23-12-4-3-5-20(23)24;1-2/h3-5,9-10,12-13,15,19,22H,1,6-8,11H2,2H3;1-2H3
InChIKeyJGFISILALNQMBA-UHFFFAOYSA-N
XLogP5.74
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.49
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl N-[5-[3-cyclopropyl-1-(2-oxo-3,4-dihydropyridin-1-yl)propyl]-2-fluorophenyl]carbamate
CID 135281878
N-[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]butanamide
CID 118363196
sodium;tert-butyl (2R,4R)-2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;tert-butyl (2R,4R)-2-[[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylate;(2R,4R)-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-4-methoxypyrrolidine-2-carboxamide;molecular bromine;oxido formate;phosphanyl(tritio)phosphane;1H-pyridin-2-one;hydrochloride
CID 165034106
N'-(2-aminoethyl)ethane-1,2-diamine;1-(3-amino-4-fluorophenyl)-3-cyclopropylpropan-1-ol;2-[3-(aminomethyl)phenyl]-N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-5-methylpyrazole-3-carboxamide;N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-(3-cyclopropyl-1-hydroxypropyl)-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;N-[5-[3-cyclopropyl-1-(2-oxo-1-pyridinyl)propyl]-2-fluorophenyl]-2-(3-isocyanophenyl)-5-methylpyrazole-3-carboxamide;methane;1H-pyridin-2-one;thionyl dichloride
CID 160573906
2-(3,4-difluorophenyl)-2-(2-oxo-1-pyridinyl)acetic acid
CID 68688446
(2Z)-N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-2-(3-cyanoanilino)-4-(trifluoromethyl)penta-2,4-dienamide;ethane;2-methyliminoethanol
CID 144917047
2-[[5-(1-bromo-3-cyclopropylpropyl)-2-fluorophenyl]carbamoyl]-4-methoxypyrrolidine-1-carboxylic acid
CID 174185412
N-[5-(1-chloro-3-cyclopropylpropyl)-2-fluorophenyl]-1-(3-cyanophenyl)-3-(trifluoromethyl)pyrazole-5-carboxamide
CID 118356087
4-[3-cyclopropyl-1-(3-propan-2-ylphenyl)propyl]-1-fluoro-2-methylbenzene
CID 144916573
4-[1-(3-amino-4-fluorophenyl)-3-cyclopropylpropyl]-1H-pyrazin-3-ol
CID 126666082
3-(1-cyclopropylpropan-2-ylcarbamoylamino)-4-fluorobenzoic acid
CID 63996542
3-cyclopropyl-1-(4-fluoro-3-methoxyphenyl)propan-1-ol
CID 115810701

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane?
The IUPAC name of 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane (CID 144916872) is 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane.
What is the SMILES notation for 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane?
The canonical SMILES for 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane is C=C(C)Nc1cc(C(CCC2CC2)n2ccccc2=O)ccc1F.CC.
What is the InChIKey of 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane?
The InChIKey is JGFISILALNQMBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN2O.C2H6/c1-14(2)22-18-13-16(9-10-17(18)21)19(11-8-15-6-7-15)23-12-4-3-5-20(23)24;1-2/h3-5,9-10,12-13,15,19,22H,1,6-8,11H2,2H3;1-2H3.
What are the key properties of 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane?
1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane has a molecular weight of 356.49 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-1-[4-fluoro-3-(prop-1-en-2-ylamino)phenyl]propyl]pyridin-2-one;ethane is sourced from PubChem (CID 144916872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).