4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile

C23H18N2O3 — CID 175856798

IUPAC4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
SMILESCc1cc2c(cc1O[C@@H](c1ccncc1)c1ccc(C#N)cc1)OCCC2=O
InChIInChI=1S/C23H18N2O3/c1-15-12-19-20(26)8-11-27-22(19)13-21(15)28-23(18-6-9-25-10-7-18)17-4-2-16(14-24)3-5-17/h2-7,9-10,12-13,23H,8,11H2,1H3/t23-/m1/s1
InChIKeyFQSMFEPDXVYEDS-HSZRJFAPSA-N
MW370.41 g/mol
LogP4.40
Rot. Bonds4

About 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile

4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile (PubChem CID 175856798) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile.

Molecular Properties

Compound Name4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
PubChem CID175856798
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
SMILESCc1cc2c(cc1O[C@@H](c1ccncc1)c1ccc(C#N)cc1)OCCC2=O
InChIInChI=1S/C23H18N2O3/c1-15-12-19-20(26)8-11-27-22(19)13-21(15)28-23(18-6-9-25-10-7-18)17-4-2-16(14-24)3-5-17/h2-7,9-10,12-13,23H,8,11H2,1H3/t23-/m1/s1
InChIKeyFQSMFEPDXVYEDS-HSZRJFAPSA-N
XLogP4.40
TPSA72.21 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(R)-(4-oxo-6-phenyl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856879
4-[(R)-(4-oxo-8-propan-2-yl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 175856887
4-[(4-oxo-8-propyl-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile
CID 156871187
7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870805
4-[(R)-(3-fluoro-4-pyridinyl)-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
CID 175856874
4-[[2-(benzhydrylideneamino)-4-pyridinyl]-[(4-oxo-2,3-dihydrochromen-7-yl)oxy]methyl]benzonitrile
CID 168740789
7-[[4-[(4-methoxyphenyl)methoxy]phenyl]-pyridin-4-ylmethoxy]-2,3-dihydrochromen-4-one
CID 156870991
4-[[2-[(4-oxo-6-propan-2-yl-2,3-dihydrochromen-7-yl)oxy]-4-pyridinyl]methyl]benzonitrile
CID 156871188
6-fluoro-7-[(4-methoxyphenyl)-pyridin-4-ylmethoxy]-8-methyl-2,3-dihydrochromen-4-one
CID 156871515
4-[(8-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-(1-oxidopyridin-1-ium-2-yl)methyl]benzonitrile
CID 156870927
6-methoxy-7-methyl-2,3-dihydrochromen-4-one
CID 55297174
4-[(8-ethynyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzamide
CID 156870962

Frequently Asked Questions

What is the IUPAC name of 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile?
The IUPAC name of 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile (CID 175856798) is 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile.
What is the SMILES notation for 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile?
The canonical SMILES for 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile is Cc1cc2c(cc1O[C@@H](c1ccncc1)c1ccc(C#N)cc1)OCCC2=O.
What is the InChIKey of 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile?
The InChIKey is FQSMFEPDXVYEDS-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-15-12-19-20(26)8-11-27-22(19)13-21(15)28-23(18-6-9-25-10-7-18)17-4-2-16(14-24)3-5-17/h2-7,9-10,12-13,23H,8,11H2,1H3/t23-/m1/s1.
What are the key properties of 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile?
4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile has a molecular weight of 370.41 g/mol, XLogP of 4.40, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(R)-(6-methyl-4-oxo-2,3-dihydrochromen-7-yl)oxy-pyridin-4-ylmethyl]benzonitrile is sourced from PubChem (CID 175856798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).