3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one

C25H32N4O3 — CID 146640813

IUPAC3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCCn1cc(-c2cnn(C)c2)cc(NC2CCC(c3ccc(OC)c(OC)c3)CC2)c1=O
InChIInChI=1S/C25H32N4O3/c1-5-29-16-19(20-14-26-28(2)15-20)12-22(25(29)30)27-21-9-6-17(7-10-21)18-8-11-23(31-3)24(13-18)32-4/h8,11-17,21,27H,5-7,9-10H2,1-4H3
InChIKeyIDPUJKPSDBGODS-UHFFFAOYSA-N
MW436.56 g/mol
LogP4.42
Rot. Bonds7

About 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one

3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one (PubChem CID 146640813) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one.

Molecular Properties

Compound Name3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
PubChem CID146640813
Molecular FormulaC25H32N4O3
Molecular Weight436.56 g/mol
Exact Mass436.25
IUPAC Name3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one
SMILESCCn1cc(-c2cnn(C)c2)cc(NC2CCC(c3ccc(OC)c(OC)c3)CC2)c1=O
InChIInChI=1S/C25H32N4O3/c1-5-29-16-19(20-14-26-28(2)15-20)12-22(25(29)30)27-21-9-6-17(7-10-21)18-8-11-23(31-3)24(13-18)32-4/h8,11-17,21,27H,5-7,9-10H2,1-4H3
InChIKeyIDPUJKPSDBGODS-UHFFFAOYSA-N
XLogP4.42
TPSA70.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one with MolForge

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Related Compounds

1-(cyclopropylmethyl)-5-(1-methylpyrazol-4-yl)-3-[(4-phenylcyclohexyl)amino]pyridin-2-one
CID 146641029
1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)-3-[(1-phenylpiperidin-4-yl)amino]pyridin-2-one
CID 146641031
1-(2-methylpropyl)-3-[(4-phenylcyclohexyl)amino]-5-pyrimidin-5-ylpyridin-2-one
CID 146640819
azane;4-cyclopropyl-1,2-dimethoxybenzene
CID 23170558
3-(methoxyamino)-1-(2-methylpropyl)-5-(1-methylpyrazol-4-yl)pyridin-2-one
CID 146640993
4-[4-[[1-(2-methylpropyl)-2-oxo-5-(1,2-thiazol-4-yl)-3-pyridinyl]amino]cyclohexyl]benzenesulfonamide
CID 146641050
2-methoxy-5-(1-methylpyrazol-4-yl)benzenethiol
CID 174151969
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196270
4-(3,4-dimethoxyphenyl)azetidin-2-one
CID 64667069
6-chloro-N-[2-methoxy-5-[4-[4-(1-methylpyrazol-4-yl)phenyl]piperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 118646006
4-(1-cyclopropylpyrazol-4-yl)-N-[[4-(4-methoxy-3-methylphenyl)cyclohexyl]methyl]-6-methylpyridin-2-amine
CID 142430471

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The IUPAC name of 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one (CID 146640813) is 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one.
What is the SMILES notation for 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The canonical SMILES for 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one is CCn1cc(-c2cnn(C)c2)cc(NC2CCC(c3ccc(OC)c(OC)c3)CC2)c1=O.
What is the InChIKey of 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
The InChIKey is IDPUJKPSDBGODS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-5-29-16-19(20-14-26-28(2)15-20)12-22(25(29)30)27-21-9-6-17(7-10-21)18-8-11-23(31-3)24(13-18)32-4/h8,11-17,21,27H,5-7,9-10H2,1-4H3.
What are the key properties of 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one?
3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one has a molecular weight of 436.56 g/mol, XLogP of 4.42, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(3,4-dimethoxyphenyl)cyclohexyl]amino]-1-ethyl-5-(1-methylpyrazol-4-yl)pyridin-2-one is sourced from PubChem (CID 146640813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).