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

C22H29N3O2 — CID 58548588

IUPAC4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine
SMILESCc1ccnc(NC2CCC(Oc3ncccc3C3CCOCC3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-16-8-12-23-21(15-16)25-18-4-6-19(7-5-18)27-22-20(3-2-11-24-22)17-9-13-26-14-10-17/h2-3,8,11-12,15,17-19H,4-7,9-10,13-14H2,1H3,(H,23,25)
InChIKeyCRQYLZWGTOUQFP-UHFFFAOYSA-N
MW367.49 g/mol
LogP4.48
Rot. Bonds5

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

4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine (PubChem CID 58548588) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine
PubChem CID58548588
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC Name4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine
SMILESCc1ccnc(NC2CCC(Oc3ncccc3C3CCOCC3)CC2)c1
InChIInChI=1S/C22H29N3O2/c1-16-8-12-23-21(15-16)25-18-4-6-19(7-5-18)27-22-20(3-2-11-24-22)17-9-13-26-14-10-17/h2-3,8,11-12,15,17-19H,4-7,9-10,13-14H2,1H3,(H,23,25)
InChIKeyCRQYLZWGTOUQFP-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 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine?
The IUPAC name of 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine (CID 58548588) is 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine.
What is the SMILES notation for 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine?
The canonical SMILES for 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine is Cc1ccnc(NC2CCC(Oc3ncccc3C3CCOCC3)CC2)c1.
What is the InChIKey of 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine?
The InChIKey is CRQYLZWGTOUQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-16-8-12-23-21(15-16)25-18-4-6-19(7-5-18)27-22-20(3-2-11-24-22)17-9-13-26-14-10-17/h2-3,8,11-12,15,17-19H,4-7,9-10,13-14H2,1H3,(H,23,25).
What are the key properties of 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine?
4-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 4-methyl-N-[4-[[3-(oxan-4-yl)-2-pyridinyl]oxy]cyclohexyl]pyridin-2-amine is sourced from PubChem (CID 58548588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).