N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide

C16H18N2O2 — CID 60506788

IUPACN-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1cccc[n+]1[O-]
InChIInChI=1S/C16H18N2O2/c1-3-17(12-14-9-5-4-8-13(14)2)16(19)15-10-6-7-11-18(15)20/h4-11H,3,12H2,1-2H3
InChIKeyNDPOYCXYNAOVHT-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.29
Rot. Bonds4

About N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide

N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide (PubChem CID 60506788) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
PubChem CID60506788
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC NameN-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
SMILESCCN(Cc1ccccc1C)C(=O)c1cccc[n+]1[O-]
InChIInChI=1S/C16H18N2O2/c1-3-17(12-14-9-5-4-8-13(14)2)16(19)15-10-6-7-11-18(15)20/h4-11H,3,12H2,1-2H3
InChIKeyNDPOYCXYNAOVHT-UHFFFAOYSA-N
XLogP2.29
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5-bromo-2-fluorophenyl)methyl]-N-ethyl-1-oxidopyridin-1-ium-2-carboxamide
CID 60506604
4-(aminomethyl)-N-ethyl-N-[(2-methylphenyl)methyl]benzamide
CID 43587256
4,5-dibromo-N-ethyl-N-[(2-methylphenyl)methyl]thiophene-2-carboxamide
CID 112725701
N-ethyl-2-hydroxy-4-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 112817397
4-[ethyl-[(2-methylphenyl)methyl]amino]-4-oxobutanoic acid
CID 39351791
2-(tert-butylamino)-N-ethyl-N-[(2-methylphenyl)methyl]acetamide
CID 112727493
N-[2-(dimethylamino)ethyl]-N-[(4-fluorophenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide
CID 60559272
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
N-ethyl-N-[(2-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 63049222
N-ethyl-5-fluoro-2-methoxy-N-[(2-methylphenyl)methyl]benzamide
CID 112817404
2-[2-[ethyl-[(2-methylphenyl)methyl]amino]-2-oxoethyl]benzoic acid
CID 120690659
4-amino-N,1-diethyl-N-[(2-methylphenyl)methyl]pyrazole-3-carboxamide
CID 65357893

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide?
The IUPAC name of N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide (CID 60506788) is N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide.
What is the SMILES notation for N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide?
The canonical SMILES for N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide is CCN(Cc1ccccc1C)C(=O)c1cccc[n+]1[O-].
What is the InChIKey of N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide?
The InChIKey is NDPOYCXYNAOVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-3-17(12-14-9-5-4-8-13(14)2)16(19)15-10-6-7-11-18(15)20/h4-11H,3,12H2,1-2H3.
What are the key properties of N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide?
N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide has a molecular weight of 270.33 g/mol, XLogP of 2.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(2-methylphenyl)methyl]-1-oxidopyridin-1-ium-2-carboxamide is sourced from PubChem (CID 60506788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).