2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile

C23H20FN3O — CID 19079400

IUPAC2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile
SMILESN#Cc1cccc2c1OC(CNCc1cncc(-c3ccc(F)cc3)c1)CC2
InChIInChI=1S/C23H20FN3O/c24-21-7-4-17(5-8-21)20-10-16(12-26-14-20)13-27-15-22-9-6-18-2-1-3-19(11-25)23(18)28-22/h1-5,7-8,10,12,14,22,27H,6,9,13,15H2
InChIKeyOYGWYYJVLROANT-UHFFFAOYSA-N
MW373.43 g/mol
LogP4.24
Rot. Bonds5

About 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile

2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile (PubChem CID 19079400) has the molecular formula C23H20FN3O and a molecular weight of 373.43 g/mol. Its IUPAC name is 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile.

Molecular Properties

Compound Name2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile
PubChem CID19079400
Molecular FormulaC23H20FN3O
Molecular Weight373.43 g/mol
Exact Mass373.16
IUPAC Name2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile
SMILESN#Cc1cccc2c1OC(CNCc1cncc(-c3ccc(F)cc3)c1)CC2
InChIInChI=1S/C23H20FN3O/c24-21-7-4-17(5-8-21)20-10-16(12-26-14-20)13-27-15-22-9-6-18-2-1-3-19(11-25)23(18)28-22/h1-5,7-8,10,12,14,22,27H,6,9,13,15H2
InChIKeyOYGWYYJVLROANT-UHFFFAOYSA-N
XLogP4.24
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile?
The IUPAC name of 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile (CID 19079400) is 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile.
What is the SMILES notation for 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile?
The canonical SMILES for 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile is N#Cc1cccc2c1OC(CNCc1cncc(-c3ccc(F)cc3)c1)CC2.
What is the InChIKey of 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile?
The InChIKey is OYGWYYJVLROANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O/c24-21-7-4-17(5-8-21)20-10-16(12-26-14-20)13-27-15-22-9-6-18-2-1-3-19(11-25)23(18)28-22/h1-5,7-8,10,12,14,22,27H,6,9,13,15H2.
What are the key properties of 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile?
2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile has a molecular weight of 373.43 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[[5-(4-fluorophenyl)-3-pyridinyl]methylamino]methyl]-3,4-dihydro-2H-chromene-8-carbonitrile is sourced from PubChem (CID 19079400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).