(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide

C19H19FN2O2 — CID 75407979

IUPAC(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H19FN2O2/c20-17-5-1-4-16(13-17)19(8-11-24-12-9-19)22-18(23)7-6-15-3-2-10-21-14-15/h1-7,10,13-14H,8-9,11-12H2,(H,22,23)/b7-6+
InChIKeyFVOKILQKEAIILD-VOTSOKGWSA-N
MW326.37 g/mol
LogP3.06
Rot. Bonds4

About (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide

(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide (PubChem CID 75407979) has the molecular formula C19H19FN2O2 and a molecular weight of 326.37 g/mol. Its IUPAC name is (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide.

Molecular Properties

Compound Name(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
PubChem CID75407979
Molecular FormulaC19H19FN2O2
Molecular Weight326.37 g/mol
Exact Mass326.14
IUPAC Name(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
SMILESO=C(/C=C/c1cccnc1)NC1(c2cccc(F)c2)CCOCC1
InChIInChI=1S/C19H19FN2O2/c20-17-5-1-4-16(13-17)19(8-11-24-12-9-19)22-18(23)7-6-15-3-2-10-21-14-15/h1-7,10,13-14H,8-9,11-12H2,(H,22,23)/b7-6+
InChIKeyFVOKILQKEAIILD-VOTSOKGWSA-N
XLogP3.06
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.37
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[4-(hydroxymethyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide
CID 103954135
(E)-N-[1-(3-fluorophenyl)cyclopropyl]but-2-enamide
CID 110478087
N-[4-(3-fluorophenyl)oxan-4-yl]furan-3-carboxamide
CID 71993760
N-[3-(3-fluorophenyl)oxetan-3-yl]prop-2-enamide
CID 166418894
N-[4-(3-fluorophenyl)oxan-4-yl]formamide
CID 175327323
4-(aminomethyl)-N-[4-(3-fluorophenyl)oxan-4-yl]benzamide
CID 119342225
(E)-N-(2,4-difluorophenyl)-3-pyridin-3-ylprop-2-enamide
CID 47148193
2-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]cyclobutane-1-carboxylic acid
CID 120976524
7-amino-N-[4-(3-fluorophenyl)oxan-4-yl]heptanamide;hydrochloride
CID 119816174
(E)-3-[(1S)-2,2-bis(3-fluorophenyl)cyclopropyl]-N-[(E)-4-pyridin-3-ylbut-3-enyl]prop-2-enamide
CID 22840510
N-[2-[[(E)-3-(3-fluorophenyl)prop-2-enoyl]amino]ethyl]pyridine-3-carboxamide
CID 39580063
2-[3-[[4-(3-fluorophenyl)oxan-4-yl]carbamoyl]phenoxy]acetic acid
CID 119187111

Frequently Asked Questions

What is the IUPAC name of (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide?
The IUPAC name of (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide (CID 75407979) is (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide.
What is the SMILES notation for (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide?
The canonical SMILES for (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide is O=C(/C=C/c1cccnc1)NC1(c2cccc(F)c2)CCOCC1.
What is the InChIKey of (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide?
The InChIKey is FVOKILQKEAIILD-VOTSOKGWSA-N. The full InChI is InChI=1S/C19H19FN2O2/c20-17-5-1-4-16(13-17)19(8-11-24-12-9-19)22-18(23)7-6-15-3-2-10-21-14-15/h1-7,10,13-14H,8-9,11-12H2,(H,22,23)/b7-6+.
What are the key properties of (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide?
(E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide has a molecular weight of 326.37 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[4-(3-fluorophenyl)oxan-4-yl]-3-pyridin-3-ylprop-2-enamide is sourced from PubChem (CID 75407979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).