1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one

C16H22N4O2 — CID 56820390

IUPAC1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one
SMILESCc1nc(C2(NCc3ccn(C)c(=O)c3)CCCCC2)no1
InChIInChI=1S/C16H22N4O2/c1-12-18-15(19-22-12)16(7-4-3-5-8-16)17-11-13-6-9-20(2)14(21)10-13/h6,9-10,17H,3-5,7-8,11H2,1-2H3
InChIKeySBDOILLKBSAZFB-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.03
Rot. Bonds4

About 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one

1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one (PubChem CID 56820390) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one
PubChem CID56820390
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one
SMILESCc1nc(C2(NCc3ccn(C)c(=O)c3)CCCCC2)no1
InChIInChI=1S/C16H22N4O2/c1-12-18-15(19-22-12)16(7-4-3-5-8-16)17-11-13-6-9-20(2)14(21)10-13/h6,9-10,17H,3-5,7-8,11H2,1-2H3
InChIKeySBDOILLKBSAZFB-UHFFFAOYSA-N
XLogP2.03
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one?
The IUPAC name of 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one (CID 56820390) is 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one.
What is the SMILES notation for 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one?
The canonical SMILES for 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one is Cc1nc(C2(NCc3ccn(C)c(=O)c3)CCCCC2)no1.
What is the InChIKey of 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one?
The InChIKey is SBDOILLKBSAZFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12-18-15(19-22-12)16(7-4-3-5-8-16)17-11-13-6-9-20(2)14(21)10-13/h6,9-10,17H,3-5,7-8,11H2,1-2H3.
What are the key properties of 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one?
1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one has a molecular weight of 302.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]amino]methyl]pyridin-2-one is sourced from PubChem (CID 56820390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).