3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine

C22H29N3O2 — CID 58548519

IUPAC3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine
SMILESCc1cccnc1NC1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C22H29N3O2/c1-16-4-2-12-23-21(16)25-18-6-8-19(9-7-18)27-22-20(5-3-13-24-22)17-10-14-26-15-11-17/h2-5,12-13,17-19H,6-11,14-15H2,1H3,(H,23,25)
InChIKeyCBQDVQFSGGVVFK-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.48
Rot. Bonds5

About 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine

3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine (PubChem CID 58548519) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine
PubChem CID58548519
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine
SMILESCc1cccnc1NC1CCC(Oc2ncccc2C2CCOCC2)CC1
InChIInChI=1S/C22H29N3O2/c1-16-4-2-12-23-21(16)25-18-6-8-19(9-7-18)27-22-20(5-3-13-24-22)17-10-14-26-15-11-17/h2-5,12-13,17-19H,6-11,14-15H2,1H3,(H,23,25)
InChIKeyCBQDVQFSGGVVFK-UHFFFAOYSA-N
XLogP4.48
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.49
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine?
The IUPAC name of 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine (CID 58548519) is 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine.
What is the SMILES notation for 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine?
The canonical SMILES for 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine is Cc1cccnc1NC1CCC(Oc2ncccc2C2CCOCC2)CC1.
What is the InChIKey of 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine?
The InChIKey is CBQDVQFSGGVVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-4-2-12-23-21(16)25-18-6-8-19(9-7-18)27-22-20(5-3-13-24-22)17-10-14-26-15-11-17/h2-5,12-13,17-19H,6-11,14-15H2,1H3,(H,23,25).
What are the key properties of 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine?
3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine has a molecular weight of 367.49 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 58548519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).