1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one

C12H20N2O — CID 82526295

IUPAC1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1CNC(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)13-7-11-9(3)6-10(4)14(5)12(11)15/h6,8,13H,7H2,1-5H3
InChIKeyNLYCKEQVVHOJLX-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.50
Rot. Bonds3

About 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one

1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one (PubChem CID 82526295) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one.

Molecular Properties

Compound Name1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
PubChem CID82526295
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one
SMILESCc1cc(C)n(C)c(=O)c1CNC(C)C
InChIInChI=1S/C12H20N2O/c1-8(2)13-7-11-9(3)6-10(4)14(5)12(11)15/h6,8,13H,7H2,1-5H3
InChIKeyNLYCKEQVVHOJLX-UHFFFAOYSA-N
XLogP1.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The IUPAC name of 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one (CID 82526295) is 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one.
What is the SMILES notation for 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The canonical SMILES for 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one is Cc1cc(C)n(C)c(=O)c1CNC(C)C.
What is the InChIKey of 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
The InChIKey is NLYCKEQVVHOJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8(2)13-7-11-9(3)6-10(4)14(5)12(11)15/h6,8,13H,7H2,1-5H3.
What are the key properties of 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one?
1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one has a molecular weight of 208.30 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,6-trimethyl-3-[(propan-2-ylamino)methyl]pyridin-2-one is sourced from PubChem (CID 82526295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).