3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one

C20H24N2O2 — CID 6480028

IUPAC3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one
SMILESC/C=C/c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-6-9-14-10-8-11-15(12-14)19(23)17-16(7-2)13(3)21-20(24)18(17)22(4)5/h6,8-12H,7H2,1-5H3,(H,21,24)/b9-6+
InChIKeyNNTCLQDJRXDWOH-RMKNXTFCSA-N
MW324.42 g/mol
LogP3.58
Rot. Bonds5

About 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one

3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one (PubChem CID 6480028) has the molecular formula C20H24N2O2 and a molecular weight of 324.42 g/mol. Its IUPAC name is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one
PubChem CID6480028
Molecular FormulaC20H24N2O2
Molecular Weight324.42 g/mol
Exact Mass324.18
IUPAC Name3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one
SMILESC/C=C/c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1
InChIInChI=1S/C20H24N2O2/c1-6-9-14-10-8-11-15(12-14)19(23)17-16(7-2)13(3)21-20(24)18(17)22(4)5/h6,8-12H,7H2,1-5H3,(H,21,24)/b9-6+
InChIKeyNNTCLQDJRXDWOH-RMKNXTFCSA-N
XLogP3.58
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.42
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one?
The IUPAC name of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one (CID 6480028) is 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one.
What is the SMILES notation for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one?
The canonical SMILES for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one is C/C=C/c1cccc(C(=O)c2c(CC)c(C)[nH]c(=O)c2N(C)C)c1.
What is the InChIKey of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one?
The InChIKey is NNTCLQDJRXDWOH-RMKNXTFCSA-N. The full InChI is InChI=1S/C20H24N2O2/c1-6-9-14-10-8-11-15(12-14)19(23)17-16(7-2)13(3)21-20(24)18(17)22(4)5/h6,8-12H,7H2,1-5H3,(H,21,24)/b9-6+.
What are the key properties of 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one?
3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one has a molecular weight of 324.42 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-5-ethyl-6-methyl-4-[3-[(E)-prop-1-enyl]benzoyl]-1H-pyridin-2-one is sourced from PubChem (CID 6480028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).