5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide

C16H19N3O — CID 81317186

IUPAC5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(N)cn2)cc1
InChIInChI=1S/C16H19N3O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)15-9-8-14(17)10-18-15/h4-10H,3,11,17H2,1-2H3
InChIKeyXBMWCLRXCMYTAZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.50
Rot. Bonds4

About 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide

5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide (PubChem CID 81317186) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
PubChem CID81317186
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide
SMILESCCc1ccc(CN(C)C(=O)c2ccc(N)cn2)cc1
InChIInChI=1S/C16H19N3O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)15-9-8-14(17)10-18-15/h4-10H,3,11,17H2,1-2H3
InChIKeyXBMWCLRXCMYTAZ-UHFFFAOYSA-N
XLogP2.50
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-N-[(4-fluorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316642
5-amino-N-[(4-carbamoylphenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81310441
(5-amino-2-pyridinyl)-(4-ethylphenyl)methanone
CID 116605339
5-amino-N-[(3-cyanophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 81316278
5-amino-N-[(5-bromofuran-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 81316878
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064
N-[(4-aminophenyl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 55144453
5-amino-N-[(4-ethylphenyl)methyl]-2-fluoro-N-methylbenzamide
CID 43587026
methyl 6-[[4-(dimethylamino)phenyl]methyl-methylcarbamoyl]pyridine-3-carboxylate
CID 35745836
5-ethyl-N-methoxy-N-methylpyridine-2-carboxamide
CID 23143535
N-[(4-ethylphenyl)methyl]-6-fluoro-N-methylpyridine-2-carboxamide
CID 115497103
6-[benzyl(methyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427191

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide?
The IUPAC name of 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide (CID 81317186) is 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide is CCc1ccc(CN(C)C(=O)c2ccc(N)cn2)cc1.
What is the InChIKey of 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide?
The InChIKey is XBMWCLRXCMYTAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-3-12-4-6-13(7-5-12)11-19(2)16(20)15-9-8-14(17)10-18-15/h4-10H,3,11,17H2,1-2H3.
What are the key properties of 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide?
5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide has a molecular weight of 269.35 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[(4-ethylphenyl)methyl]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 81317186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).