3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide

C15H19FN2O2 — CID 111460349

IUPAC3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1cncc(F)c1)NCC1CCCC(O)C1
InChIInChI=1S/C15H19FN2O2/c16-13-6-12(8-17-10-13)4-5-15(20)18-9-11-2-1-3-14(19)7-11/h4-6,8,10-11,14,19H,1-3,7,9H2,(H,18,20)
InChIKeyKMIAIHSBWIQGGJ-UHFFFAOYSA-N
MW278.33 g/mol
LogP1.90
Rot. Bonds4

About 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide

3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide (PubChem CID 111460349) has the molecular formula C15H19FN2O2 and a molecular weight of 278.33 g/mol. Its IUPAC name is 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide.

Molecular Properties

Compound Name3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
PubChem CID111460349
Molecular FormulaC15H19FN2O2
Molecular Weight278.33 g/mol
Exact Mass278.14
IUPAC Name3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide
SMILESO=C(C=Cc1cncc(F)c1)NCC1CCCC(O)C1
InChIInChI=1S/C15H19FN2O2/c16-13-6-12(8-17-10-13)4-5-15(20)18-9-11-2-1-3-14(19)7-11/h4-6,8,10-11,14,19H,1-3,7,9H2,(H,18,20)
InChIKeyKMIAIHSBWIQGGJ-UHFFFAOYSA-N
XLogP1.90
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.33
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-hydroxycyclohexyl)methyl]-3-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 111460408
3-(3-fluorophenyl)-N-[(3-hydroxycyclobutyl)methyl]prop-2-enamide
CID 77111150
N-[(3-hydroxycyclohexyl)methyl]-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 111460494
5-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-3-sulfonamide
CID 103835856
(E)-N-[(3-hydroxycyclopentyl)methyl]-3-(4-hydroxyphenyl)prop-2-enamide
CID 103280113
(E)-N-[(3-hydroxycyclohexyl)methyl]-3-(2-nitrophenyl)prop-2-enamide
CID 111460122
(Z)-3-(5-fluoro-3-pyridinyl)prop-2-enoic acid
CID 97054332
5-fluoro-2-hydroxy-N-[(3-hydroxycyclohexyl)methyl]benzamide
CID 103739156
2-fluoro-N-[(3-hydroxycyclohexyl)methyl]pyridine-4-carboxamide
CID 103690727
1-(3-bromo-5-fluorophenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111476022
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
1-(5-fluoro-2-methylphenyl)-3-[(3-hydroxycyclohexyl)methyl]urea
CID 111472992

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide?
The IUPAC name of 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide (CID 111460349) is 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide.
What is the SMILES notation for 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide?
The canonical SMILES for 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide is O=C(C=Cc1cncc(F)c1)NCC1CCCC(O)C1.
What is the InChIKey of 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide?
The InChIKey is KMIAIHSBWIQGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2/c16-13-6-12(8-17-10-13)4-5-15(20)18-9-11-2-1-3-14(19)7-11/h4-6,8,10-11,14,19H,1-3,7,9H2,(H,18,20).
What are the key properties of 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide?
3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide has a molecular weight of 278.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-3-pyridinyl)-N-[(3-hydroxycyclohexyl)methyl]prop-2-enamide is sourced from PubChem (CID 111460349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).