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

C23H27ClN2O3 — CID 152716565

IUPAC4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
SMILESCOc1cn(C(C)CC2CCC(OC)CC2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C23H27ClN2O3/c1-15(10-16-4-8-19(28-2)9-5-16)26-14-22(29-3)21(12-23(26)27)20-11-18(24)7-6-17(20)13-25/h6-7,11-12,14-16,19H,4-5,8-10H2,1-3H3
InChIKeyZUSPZYSLSRWSDT-UHFFFAOYSA-N
MW414.93 g/mol
LogP5.21
Rot. Bonds6

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

4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile (PubChem CID 152716565) has the molecular formula C23H27ClN2O3 and a molecular weight of 414.93 g/mol. Its IUPAC name is 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
PubChem CID152716565
Molecular FormulaC23H27ClN2O3
Molecular Weight414.93 g/mol
Exact Mass414.17
IUPAC Name4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile
SMILESCOc1cn(C(C)CC2CCC(OC)CC2)c(=O)cc1-c1cc(Cl)ccc1C#N
InChIInChI=1S/C23H27ClN2O3/c1-15(10-16-4-8-19(28-2)9-5-16)26-14-22(29-3)21(12-23(26)27)20-11-18(24)7-6-17(20)13-25/h6-7,11-12,14-16,19H,4-5,8-10H2,1-3H3
InChIKeyZUSPZYSLSRWSDT-UHFFFAOYSA-N
XLogP5.21
TPSA64.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.93
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile with MolForge

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Related Compounds

4-[[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-(4-methoxycyclohexyl)-2-oxobutyl]amino]benzoic acid
CID 123955765
4-chloro-2-[5-methoxy-1-(4-methoxybutan-2-yl)-2-oxo-4-pyridinyl]benzonitrile
CID 135270547
4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-cyclobutylpropanoyl]amino]benzoic acid
CID 86297950
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]-3-ethoxy-2-oxopropyl]benzoic acid
CID 159466977
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]-2-oxo-4-(oxolan-3-yl)butyl]benzoate
CID 158778319
tert-butyl 4-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methyl-2-oxopentyl]benzoate
CID 147885399
ethyl 6-[3-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-4-methyl-2-oxopentyl]-1H-indene-2-carboxylate
CID 159264060
4-[3-[4-(5-chloro-2-cyanophenyl)-5-ethoxy-2-oxo-1-pyridinyl]-2-oxobutyl]benzoic acid
CID 160551023
tert-butyl 2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxo-1-pyridinyl]-3-(5-methyl-1,2-oxazol-3-yl)propanoate
CID 118978540

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?
The IUPAC name of 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile (CID 152716565) is 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile.
What is the SMILES notation for 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?
The canonical SMILES for 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile is COc1cn(C(C)CC2CCC(OC)CC2)c(=O)cc1-c1cc(Cl)ccc1C#N.
What is the InChIKey of 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?
The InChIKey is ZUSPZYSLSRWSDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27ClN2O3/c1-15(10-16-4-8-19(28-2)9-5-16)26-14-22(29-3)21(12-23(26)27)20-11-18(24)7-6-17(20)13-25/h6-7,11-12,14-16,19H,4-5,8-10H2,1-3H3.
What are the key properties of 4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile?
4-chloro-2-[5-methoxy-1-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile has a molecular weight of 414.93 g/mol, XLogP of 5.21, 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-[1-(4-methoxycyclohexyl)propan-2-yl]-2-oxo-4-pyridinyl]benzonitrile is sourced from PubChem (CID 152716565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).