3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one

C32H38N2O3 — CID 146389426

IUPAC3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C3CC3)c(C3CC(=O)CCC3C)n2)cc1
InChIInChI=1S/C32H38N2O3/c1-21-5-12-26(35)18-29(21)32-31(25-10-11-25)22(2)17-30(33-32)34(19-23-6-13-27(36-3)14-7-23)20-24-8-15-28(37-4)16-9-24/h6-9,13-17,21,25,29H,5,10-12,18-20H2,1-4H3
InChIKeyIDYNADMZKYECOA-UHFFFAOYSA-N
MW498.67 g/mol
LogP6.96
Rot. Bonds9

About 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one

3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one (PubChem CID 146389426) has the molecular formula C32H38N2O3 and a molecular weight of 498.67 g/mol. Its IUPAC name is 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one
PubChem CID146389426
Molecular FormulaC32H38N2O3
Molecular Weight498.67 g/mol
Exact Mass498.29
IUPAC Name3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one
SMILESCOc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C3CC3)c(C3CC(=O)CCC3C)n2)cc1
InChIInChI=1S/C32H38N2O3/c1-21-5-12-26(35)18-29(21)32-31(25-10-11-25)22(2)17-30(33-32)34(19-23-6-13-27(36-3)14-7-23)20-24-8-15-28(37-4)16-9-24/h6-9,13-17,21,25,29H,5,10-12,18-20H2,1-4H3
InChIKeyIDYNADMZKYECOA-UHFFFAOYSA-N
XLogP6.96
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.67
LogP ≤ 56.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-[bis[(4-methoxyphenyl)methyl]amino]-2-fluoro-5-methylphenyl]-4-methylcyclohexan-1-one
CID 146389650
3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one
CID 155681743
7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-methyl-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 146389329
N,N-bis[(4-methoxyphenyl)methyl]-5-methyl-6-[1-(3-methylphenyl)piperidin-4-yl]pyridin-2-amine
CID 175821321
N,N-bis[(4-methoxyphenyl)methyl]-4,6-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 172512978
6-bromo-5-cyclopropyl-N,N-bis[(4-methoxyphenyl)methyl]pyridin-2-amine
CID 170704626
6-chloro-N,N-bis[(4-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 59548404
6-[bis[(4-methoxyphenyl)methyl]amino]-2H-pyridin-3-one
CID 175904139
ethyl 4-[6-[(4-methoxyphenyl)methyl-methylamino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-5-methyl-2-oxocyclohexane-1-carboxylate
CID 146389344
tert-butyl (3R)-3-[[7-[6-[bis[(4-methoxyphenyl)methyl]amino]-4-methyl-3-(trifluoromethyl)-2-pyridinyl]-6-methyl-2-methylsulfanyl-5,6,7,8-tetrahydroquinazolin-4-yl]-methylamino]pyrrolidine-1-carboxylate
CID 170704236
4-[[(4-methoxyphenyl)methyl-methylamino]methyl]cyclohexan-1-one
CID 115240195
[6-[bis[(4-methoxyphenyl)methyl]amino]-2-[1-(3-methylphenyl)piperidin-4-yl]-3-pyridinyl]methanol
CID 170775985

Frequently Asked Questions

What is the IUPAC name of 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one?
The IUPAC name of 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one (CID 146389426) is 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one is COc1ccc(CN(Cc2ccc(OC)cc2)c2cc(C)c(C3CC3)c(C3CC(=O)CCC3C)n2)cc1.
What is the InChIKey of 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one?
The InChIKey is IDYNADMZKYECOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H38N2O3/c1-21-5-12-26(35)18-29(21)32-31(25-10-11-25)22(2)17-30(33-32)34(19-23-6-13-27(36-3)14-7-23)20-24-8-15-28(37-4)16-9-24/h6-9,13-17,21,25,29H,5,10-12,18-20H2,1-4H3.
What are the key properties of 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one?
3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one has a molecular weight of 498.67 g/mol, XLogP of 6.96, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 146389426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).