[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone

C21H22FN3O2 — CID 56900646

IUPAC[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(N2CC=C(c3ccc(F)cc3)CC2)ccn1)N1CCOCC1
InChIInChI=1S/C21H22FN3O2/c22-18-3-1-16(2-4-18)17-6-9-24(10-7-17)19-5-8-23-20(15-19)21(26)25-11-13-27-14-12-25/h1-6,8,15H,7,9-14H2
InChIKeyLYHMQLBKKSEIEA-UHFFFAOYSA-N
MW367.42 g/mol
LogP2.99
Rot. Bonds3

About [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone

[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone (PubChem CID 56900646) has the molecular formula C21H22FN3O2 and a molecular weight of 367.42 g/mol. Its IUPAC name is [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
PubChem CID56900646
Molecular FormulaC21H22FN3O2
Molecular Weight367.42 g/mol
Exact Mass367.17
IUPAC Name[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone
SMILESO=C(c1cc(N2CC=C(c3ccc(F)cc3)CC2)ccn1)N1CCOCC1
InChIInChI=1S/C21H22FN3O2/c22-18-3-1-16(2-4-18)17-6-9-24(10-7-17)19-5-8-23-20(15-19)21(26)25-11-13-27-14-12-25/h1-6,8,15H,7,9-14H2
InChIKeyLYHMQLBKKSEIEA-UHFFFAOYSA-N
XLogP2.99
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The IUPAC name of [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone (CID 56900646) is [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The canonical SMILES for [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone is O=C(c1cc(N2CC=C(c3ccc(F)cc3)CC2)ccn1)N1CCOCC1.
What is the InChIKey of [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
The InChIKey is LYHMQLBKKSEIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O2/c22-18-3-1-16(2-4-18)17-6-9-24(10-7-17)19-5-8-23-20(15-19)21(26)25-11-13-27-14-12-25/h1-6,8,15H,7,9-14H2.
What are the key properties of [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone?
[4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone has a molecular weight of 367.42 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-fluorophenyl)-3,6-dihydro-2H-pyridin-1-yl]-2-pyridinyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 56900646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).