4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile

C18H19ClN2O3 — CID 135270547

IUPAC4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
SMILESCOCCC(C)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C18H19ClN2O3/c1-12(6-7-23-2)21-11-17(24-3)16(9-18(21)22)15-8-14(19)5-4-13(15)10-20/h4-5,8-9,11-12H,6-7H2,1-3H3
InChIKeyRPNDTVKJMHEOMY-UHFFFAOYSA-N
MW346.81 g/mol
LogP3.65
Rot. Bonds6

About 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile

4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile (PubChem CID 135270547) has the molecular formula C18H19ClN2O3 and a molecular weight of 346.81 g/mol. Its IUPAC name is 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
PubChem CID135270547
Molecular FormulaC18H19ClN2O3
Molecular Weight346.81 g/mol
Exact Mass346.11
IUPAC Name4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
SMILESCOCCC(C)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O
InChIInChI=1S/C18H19ClN2O3/c1-12(6-7-23-2)21-11-17(24-3)16(9-18(21)22)15-8-14(19)5-4-13(15)10-20/h4-5,8-9,11-12H,6-7H2,1-3H3
InChIKeyRPNDTVKJMHEOMY-UHFFFAOYSA-N
XLogP3.65
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.81
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(5-chloro-2-methylphenyl)-5-methoxy-1-(4-methoxybutan-2-yl)pyridin-2-one
CID 166879599
4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
CID 152716565
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxopentyl]-2-fluorobenzamide
CID 147980356
5-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methoxybutanoyl]amino]-N-methylthiophene-2-carboxamide
CID 118978130
4-[[(2S)-2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-propan-2-yloxybutanoyl]amino]benzoic acid
CID 122550214
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methyl-2-oxohexyl]benzoic acid
CID 148908170
4-[(5R)-3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-methoxy-2-oxohexyl]benzoic acid
CID 149365728
tert-butyl 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methyl-2-oxopentyl]benzoate
CID 147885399
4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-ethoxy-2-oxopropyl]benzoic acid
CID 159466977
4-chloro-2-[5-methoxy-1-[5-methoxy-1-[3-(5-methoxypentanoyl)pyrazolo[1,5-a]pyridin-5-yl]-2-oxopentan-3-yl]-2-oxo-4-pyridinyl]benzonitrile
CID 157472622
tert-butyl 4-[[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-5-(trifluoromethoxy)pentyl]amino]benzoate
CID 150989114
2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-2-fluoro-N-(3-fluorophenyl)acetamide
CID 175548814

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile?
The IUPAC name of 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile (CID 135270547) is 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile is COCCC(C)n1cc(OC)c(-c2cc(Cl)ccc2C#N)cc1=O.
What is the InChIKey of 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile?
The InChIKey is RPNDTVKJMHEOMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN2O3/c1-12(6-7-23-2)21-11-17(24-3)16(9-18(21)22)15-8-14(19)5-4-13(15)10-20/h4-5,8-9,11-12H,6-7H2,1-3H3.
What are the key properties of 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile?
4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile has a molecular weight of 346.81 g/mol, XLogP of 3.65, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile is sourced from PubChem (CID 135270547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).