4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile

C21H20N2O — CID 134249347

IUPAC4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESN#Cc1ccc2c(c1)OCCC2c1cc(C2CC2)nc(C2CC2)c1
InChIInChI=1S/C21H20N2O/c22-12-13-1-6-18-17(7-8-24-21(18)9-13)16-10-19(14-2-3-14)23-20(11-16)15-4-5-15/h1,6,9-11,14-15,17H,2-5,7-8H2
InChIKeyKTNDKKRKWOCKAU-UHFFFAOYSA-N
MW316.40 g/mol
LogP4.62
Rot. Bonds3

About 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile

4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile (PubChem CID 134249347) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile.

Molecular Properties

Compound Name4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile
PubChem CID134249347
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile
SMILESN#Cc1ccc2c(c1)OCCC2c1cc(C2CC2)nc(C2CC2)c1
InChIInChI=1S/C21H20N2O/c22-12-13-1-6-18-17(7-8-24-21(18)9-13)16-10-19(14-2-3-14)23-20(11-16)15-4-5-15/h1,6,9-11,14-15,17H,2-5,7-8H2
InChIKeyKTNDKKRKWOCKAU-UHFFFAOYSA-N
XLogP4.62
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile?
The IUPAC name of 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile (CID 134249347) is 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile.
What is the SMILES notation for 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile?
The canonical SMILES for 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile is N#Cc1ccc2c(c1)OCCC2c1cc(C2CC2)nc(C2CC2)c1.
What is the InChIKey of 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile?
The InChIKey is KTNDKKRKWOCKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O/c22-12-13-1-6-18-17(7-8-24-21(18)9-13)16-10-19(14-2-3-14)23-20(11-16)15-4-5-15/h1,6,9-11,14-15,17H,2-5,7-8H2.
What are the key properties of 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile?
4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile has a molecular weight of 316.40 g/mol, XLogP of 4.62, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dicyclopropyl-4-pyridinyl)-3,4-dihydro-2H-chromene-7-carbonitrile is sourced from PubChem (CID 134249347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).