3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one

C21H26N2O2 — CID 155681743

IUPAC3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one
SMILESCOc1ccc(CNc2cc(C)cc(C3CC(=O)CCC3C)n2)cc1
InChIInChI=1S/C21H26N2O2/c1-14-10-20(19-12-17(24)7-4-15(19)2)23-21(11-14)22-13-16-5-8-18(25-3)9-6-16/h5-6,8-11,15,19H,4,7,12-13H2,1-3H3,(H,22,23)
InChIKeyUIZBMKMXUBTTQQ-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.48
Rot. Bonds5

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

3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one (PubChem CID 155681743) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one.

Molecular Properties

Compound Name3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one
PubChem CID155681743
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one
SMILESCOc1ccc(CNc2cc(C)cc(C3CC(=O)CCC3C)n2)cc1
InChIInChI=1S/C21H26N2O2/c1-14-10-20(19-12-17(24)7-4-15(19)2)23-21(11-14)22-13-16-5-8-18(25-3)9-6-16/h5-6,8-11,15,19H,4,7,12-13H2,1-3H3,(H,22,23)
InChIKeyUIZBMKMXUBTTQQ-UHFFFAOYSA-N
XLogP4.48
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[3-[bis[(4-methoxyphenyl)methyl]amino]-2-fluoro-5-methylphenyl]-4-methylcyclohexan-1-one
CID 146389650
3-[6-[bis[(4-methoxyphenyl)methyl]amino]-3-cyclopropyl-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one
CID 146389426
6-N-ethyl-4-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 80785216
N-[6-[(4-methoxyphenyl)methylamino]pyridazin-3-yl]cyclopropanecarboxamide
CID 113041743
4-N-(1,1-dioxothiolan-3-yl)-6-N-[(4-methoxyphenyl)methyl]-2-methylpyrimidine-4,6-diamine
CID 112872908
1-[(2S)-2-[6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidin-4-yl]azetidin-1-yl]ethanone
CID 95847449
N-[(4-methoxyphenyl)methyl]-2-methyl-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 112872910
6-N-[(4-methoxyphenyl)methyl]-2-methyl-4-N-(2-methylpropyl)pyrimidine-4,6-diamine
CID 112868056
4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 136973640
3-(4-methoxyphenyl)cyclopentan-1-one
CID 14090910
N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
CID 82671591
N-[(4-methoxyphenyl)methyl]-6-[(4-methoxyphenyl)methylamino]-2-methylpyrimidine-4-carboxamide
CID 109370347

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one?
The IUPAC name of 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one (CID 155681743) is 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one.
What is the SMILES notation for 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one?
The canonical SMILES for 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one is COc1ccc(CNc2cc(C)cc(C3CC(=O)CCC3C)n2)cc1.
What is the InChIKey of 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one?
The InChIKey is UIZBMKMXUBTTQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-14-10-20(19-12-17(24)7-4-15(19)2)23-21(11-14)22-13-16-5-8-18(25-3)9-6-16/h5-6,8-11,15,19H,4,7,12-13H2,1-3H3,(H,22,23).
What are the key properties of 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one?
3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one has a molecular weight of 338.45 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-methoxyphenyl)methylamino]-4-methyl-2-pyridinyl]-4-methylcyclohexan-1-one is sourced from PubChem (CID 155681743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).