4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one

C16H17N5O2 — CID 71924550

IUPAC4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one
SMILESCc1noc(-c2cccnc2NCc2c(C)cc(C)[nH]c2=O)n1
InChIInChI=1S/C16H17N5O2/c1-9-7-10(2)19-15(22)13(9)8-18-14-12(5-4-6-17-14)16-20-11(3)21-23-16/h4-7H,8H2,1-3H3,(H,17,18)(H,19,22)
InChIKeyPPLUMUVRPZVOCX-UHFFFAOYSA-N
MW311.35 g/mol
LogP2.36
Rot. Bonds4

About 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one

4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one (PubChem CID 71924550) has the molecular formula C16H17N5O2 and a molecular weight of 311.35 g/mol. Its IUPAC name is 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one
PubChem CID71924550
Molecular FormulaC16H17N5O2
Molecular Weight311.35 g/mol
Exact Mass311.14
IUPAC Name4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one
SMILESCc1noc(-c2cccnc2NCc2c(C)cc(C)[nH]c2=O)n1
InChIInChI=1S/C16H17N5O2/c1-9-7-10(2)19-15(22)13(9)8-18-14-12(5-4-6-17-14)16-20-11(3)21-23-16/h4-7H,8H2,1-3H3,(H,17,18)(H,19,22)
InChIKeyPPLUMUVRPZVOCX-UHFFFAOYSA-N
XLogP2.36
TPSA96.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one?
The IUPAC name of 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one (CID 71924550) is 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one.
What is the SMILES notation for 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one?
The canonical SMILES for 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one is Cc1noc(-c2cccnc2NCc2c(C)cc(C)[nH]c2=O)n1.
What is the InChIKey of 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one?
The InChIKey is PPLUMUVRPZVOCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2/c1-9-7-10(2)19-15(22)13(9)8-18-14-12(5-4-6-17-14)16-20-11(3)21-23-16/h4-7H,8H2,1-3H3,(H,17,18)(H,19,22).
What are the key properties of 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one?
4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one has a molecular weight of 311.35 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-3-[[[3-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]amino]methyl]-1H-pyridin-2-one is sourced from PubChem (CID 71924550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).