1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile

C16H22N2O — CID 65376799

IUPAC1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile
SMILESCOc1c(C)cnc(CC2(C#N)CCCCC2)c1C
InChIInChI=1S/C16H22N2O/c1-12-10-18-14(13(2)15(12)19-3)9-16(11-17)7-5-4-6-8-16/h10H,4-9H2,1-3H3
InChIKeyDUTXVQUNNRIYED-UHFFFAOYSA-N
MW258.36 g/mol
LogP3.72
Rot. Bonds3

About 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile (PubChem CID 65376799) has the molecular formula C16H22N2O and a molecular weight of 258.36 g/mol. Its IUPAC name is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile.

Molecular Properties

Compound Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile
PubChem CID65376799
Molecular FormulaC16H22N2O
Molecular Weight258.36 g/mol
Exact Mass258.17
IUPAC Name1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile
SMILESCOc1c(C)cnc(CC2(C#N)CCCCC2)c1C
InChIInChI=1S/C16H22N2O/c1-12-10-18-14(13(2)15(12)19-3)9-16(11-17)7-5-4-6-8-16/h10H,4-9H2,1-3H3
InChIKeyDUTXVQUNNRIYED-UHFFFAOYSA-N
XLogP3.72
TPSA45.91 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexan-1-ol
CID 65142759
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopentyl]-N-methylmethanamine
CID 62724590
1-[(3,5-dimethyl-4-nitro-2-pyridinyl)methyl]cyclobutane-1-carbonitrile
CID 103184788
1-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclobutyl]-N-methylmethanamine
CID 65194645
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclopropane-1-carboxylic acid
CID 66024192
1-[1-hydroxy-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethyl]cyclopentan-1-ol
CID 103448486
1-(aminomethyl)-N-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 62006915
N-[[1-(chloromethyl)cyclohexyl]methyl]-1-(4-methoxy-3,5-dimethyl-2-pyridinyl)methanamine
CID 103969062
1-(1-methoxycyclopentyl)-2-(4-methoxy-3,5-dimethyl-2-pyridinyl)ethanamine
CID 104610582
[3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]methanol
CID 66058388
3-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]-1,1-dioxothiolan-3-ol
CID 65145771
[2-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thiolan-2-yl]methanamine
CID 83173757

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile?
The IUPAC name of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile (CID 65376799) is 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile.
What is the SMILES notation for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile?
The canonical SMILES for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile is COc1c(C)cnc(CC2(C#N)CCCCC2)c1C.
What is the InChIKey of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile?
The InChIKey is DUTXVQUNNRIYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-10-18-14(13(2)15(12)19-3)9-16(11-17)7-5-4-6-8-16/h10H,4-9H2,1-3H3.
What are the key properties of 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile?
1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile has a molecular weight of 258.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]cyclohexane-1-carbonitrile is sourced from PubChem (CID 65376799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).