4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide

C16H19N2O2+ — CID 170764337

IUPAC4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide
SMILESCCc1cc(-c2ccc(C(N)=O)cc2C)c[n+](OC)c1
InChIInChI=1S/C16H18N2O2/c1-4-12-8-14(10-18(9-12)20-3)15-6-5-13(16(17)19)7-11(15)2/h5-10H,4H2,1-3H3,(H-,17,19)/p+1
InChIKeyCCQDOSHABDZXJE-UHFFFAOYSA-O
MW271.34 g/mol
LogP1.67
Rot. Bonds4

About 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide

4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide (PubChem CID 170764337) has the molecular formula C16H19N2O2+ and a molecular weight of 271.34 g/mol. Its IUPAC name is 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide.

Molecular Properties

Compound Name4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide
PubChem CID170764337
Molecular FormulaC16H19N2O2+
Molecular Weight271.34 g/mol
Exact Mass271.14
IUPAC Name4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide
SMILESCCc1cc(-c2ccc(C(N)=O)cc2C)c[n+](OC)c1
InChIInChI=1S/C16H18N2O2/c1-4-12-8-14(10-18(9-12)20-3)15-6-5-13(16(17)19)7-11(15)2/h5-10H,4H2,1-3H3,(H-,17,19)/p+1
InChIKeyCCQDOSHABDZXJE-UHFFFAOYSA-O
XLogP1.67
TPSA56.20 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-[3-hydroxy-5-(hydroxymethyl)phenyl]-3-methylbenzamide
CID 170764185
4-(4-ethylphenyl)-3-methylbenzoic acid
CID 53225239
4-(4-ethylphenyl)benzamide
CID 53425878
4-(4-ethoxycarbonylphenyl)-3-methylbenzoic acid
CID 53227859
(4-ethylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83057344
4-[3-(2-chloroethoxy)phenyl]-3-methylbenzamide
CID 58276768
4-(3-ethylphenyl)benzamide
CID 54454087
(Z)-but-2-ene;4-ethylbenzamide
CID 143666599
butyl 4-(5-chloro-6-methoxy-3-pyridinyl)-3-methylbenzoate
CID 130277906
4-[3-[(2,3-dihydro-1H-inden-2-ylamino)methyl]phenyl]-3-methylbenzamide
CID 58276465
4-[2-methyl-1-[3-methyl-4-[4-(trifluoromethoxy)phenyl]phenoxy]propyl]benzamide
CID 141128182
ethyl 4-carbamoyl-2-ethoxybenzoate
CID 132570188

Frequently Asked Questions

What is the IUPAC name of 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide?
The IUPAC name of 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide (CID 170764337) is 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide.
What is the SMILES notation for 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide?
The canonical SMILES for 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide is CCc1cc(-c2ccc(C(N)=O)cc2C)c[n+](OC)c1.
What is the InChIKey of 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide?
The InChIKey is CCQDOSHABDZXJE-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H18N2O2/c1-4-12-8-14(10-18(9-12)20-3)15-6-5-13(16(17)19)7-11(15)2/h5-10H,4H2,1-3H3,(H-,17,19)/p+1.
What are the key properties of 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide?
4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide has a molecular weight of 271.34 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethyl-1-methoxypyridin-1-ium-3-yl)-3-methylbenzamide is sourced from PubChem (CID 170764337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).