3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde

C19H24N2O2 — CID 11289935

IUPAC3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde
SMILESCCc1c(C)[nH]c(=O)c(N(C)CC)c1Cc1cccc(C=O)c1
InChIInChI=1S/C19H24N2O2/c1-5-16-13(3)20-19(23)18(21(4)6-2)17(16)11-14-8-7-9-15(10-14)12-22/h7-10,12H,5-6,11H2,1-4H3,(H,20,23)
InChIKeyWWIWUVABYGXKRJ-UHFFFAOYSA-N
MW312.41 g/mol
LogP3.11
Rot. Bonds6

About 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde

3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde (PubChem CID 11289935) has the molecular formula C19H24N2O2 and a molecular weight of 312.41 g/mol. Its IUPAC name is 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde.

Molecular Properties

Compound Name3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde
PubChem CID11289935
Molecular FormulaC19H24N2O2
Molecular Weight312.41 g/mol
Exact Mass312.18
IUPAC Name3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde
SMILESCCc1c(C)[nH]c(=O)c(N(C)CC)c1Cc1cccc(C=O)c1
InChIInChI=1S/C19H24N2O2/c1-5-16-13(3)20-19(23)18(21(4)6-2)17(16)11-14-8-7-9-15(10-14)12-22/h7-10,12H,5-6,11H2,1-4H3,(H,20,23)
InChIKeyWWIWUVABYGXKRJ-UHFFFAOYSA-N
XLogP3.11
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-Ethyl-3-((2-methoxyethyl)methylamino)-6-methyl-4-(3-methylbenzyl)pyridin-2(1H)-one
CID 486953
3-amino-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 481009
N-[4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]formamide
CID 481012
5-ethyl-3-[2-methoxyethyl(methyl)amino]-6-methyl-4-(3-methylbenzoyl)-1H-pyridin-2-one
CID 486991
2-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]acetonitrile
CID 3012806
3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-(hydroxymethyl)-1H-pyridin-2-one
CID 6320551
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]prop-2-enenitrile
CID 6480025
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]-2-methyl-prop-2-enenitrile
CID 6480049
(E)-3-[3-[5-(dimethylamino)-3-ethyl-2-methyl-6-oxo-1H-pyridine-4-carbonyl]phenyl]but-2-enenitrile
CID 6480054
3-(diethylamino)-4-[(3,5-dimethylphenyl)methyl]-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486837
3-(dimethylamino)-5-ethyl-6-methyl-4-(m-tolylmethyl)-1H-pyridin-2-one
CID 486838
3-(dimethylamino)-4-(3,5-dimethylbenzoyl)-5-ethyl-6-methyl-1H-pyridin-2-one
CID 486859

Frequently Asked Questions

What is the IUPAC name of 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde?
The IUPAC name of 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde (CID 11289935) is 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde.
What is the SMILES notation for 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde?
The canonical SMILES for 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde is CCc1c(C)[nH]c(=O)c(N(C)CC)c1Cc1cccc(C=O)c1.
What is the InChIKey of 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde?
The InChIKey is WWIWUVABYGXKRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O2/c1-5-16-13(3)20-19(23)18(21(4)6-2)17(16)11-14-8-7-9-15(10-14)12-22/h7-10,12H,5-6,11H2,1-4H3,(H,20,23).
What are the key properties of 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde?
3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde has a molecular weight of 312.41 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-ethyl-5-[ethyl(methyl)amino]-2-methyl-6-oxo-1H-pyridin-4-yl]methyl]benzaldehyde is sourced from PubChem (CID 11289935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).