N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine

C16H22N4O — CID 106871952

IUPACN-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCOC1CCCC(Nc2cccnc2-n2ccnc2C)C1
InChIInChI=1S/C16H22N4O/c1-12-17-9-10-20(12)16-15(7-4-8-18-16)19-13-5-3-6-14(11-13)21-2/h4,7-10,13-14,19H,3,5-6,11H2,1-2H3
InChIKeyKLFYLOBPKNWHHW-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.95
Rot. Bonds4

About N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine

N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine (PubChem CID 106871952) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound NameN-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
PubChem CID106871952
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC NameN-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
SMILESCOC1CCCC(Nc2cccnc2-n2ccnc2C)C1
InChIInChI=1S/C16H22N4O/c1-12-17-9-10-20(12)16-15(7-4-8-18-16)19-13-5-3-6-14(11-13)21-2/h4,7-10,13-14,19H,3,5-6,11H2,1-2H3
InChIKeyKLFYLOBPKNWHHW-UHFFFAOYSA-N
XLogP2.95
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-methoxycyclobutyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 104872076
N-cyclopropyl-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 103439170
2-methoxy-N-(3-methoxycyclohexyl)pyridin-3-amine
CID 106871796
N-(3-methoxycyclohexyl)quinolin-5-amine
CID 106871532
N-(cyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 54863456
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
N-(dicyclopropylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60945201
N-(3-methoxycyclohexyl)-2-pyrazol-1-ylaniline
CID 106871747
N-cyclopentyl-2-methoxypyridin-3-amine
CID 43721756
N-(cyclohex-3-en-1-ylmethyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine
CID 60943626
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
5-[(3-methoxycyclohexyl)amino]naphthalen-1-ol
CID 106871902

Frequently Asked Questions

What is the IUPAC name of N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine (CID 106871952) is N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine is COC1CCCC(Nc2cccnc2-n2ccnc2C)C1.
What is the InChIKey of N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
The InChIKey is KLFYLOBPKNWHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-12-17-9-10-20(12)16-15(7-4-8-18-16)19-13-5-3-6-14(11-13)21-2/h4,7-10,13-14,19H,3,5-6,11H2,1-2H3.
What are the key properties of N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine?
N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine has a molecular weight of 286.38 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxycyclohexyl)-2-(2-methylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 106871952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).