1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide

C16H17N3O3 — CID 70972239

IUPAC1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H17N3O3/c1-17-16(22)13-7-8-15(21)19(10-13)11-14(20)18-9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,17,22)(H,18,20)
InChIKeyGNMSQPYYPBGMAT-UHFFFAOYSA-N
MW299.33 g/mol
LogP0.52
Rot. Bonds5

About 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide

1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide (PubChem CID 70972239) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
PubChem CID70972239
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
SMILESCNC(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2)c1
InChIInChI=1S/C16H17N3O3/c1-17-16(22)13-7-8-15(21)19(10-13)11-14(20)18-9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,17,22)(H,18,20)
InChIKeyGNMSQPYYPBGMAT-UHFFFAOYSA-N
XLogP0.52
TPSA80.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 50.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(ethylcarbamoylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47394472
1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 110082547
1-[2-(4-ethylanilino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide
CID 47505343
N-benzyl-1-[2-[[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]amino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92635934
N-benzyl-1-hydroxy-6-oxopyridine-3-carboxamide
CID 118717064
1-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxylic acid
CID 73253839
N-[(1R)-1-(1H-benzimidazol-2-yl)ethyl]-1-[2-[(4-fluorophenyl)methylamino]-2-oxoethyl]-6-oxopyridine-3-carboxamide
CID 92634562
ethane;N-methyl-4-[(propanoylamino)methyl]benzamide
CID 145404666
4-[[[2-(5-bromo-2-oxo-1-pyridinyl)acetyl]amino]methyl]-N-butylbenzamide
CID 78872433
1-[(1-benzyl-6-oxopyridine-3-carbonyl)amino]-3-methylthiourea
CID 2764907
3-N-benzyl-1-N,5-dimethylbenzene-1,3-dicarboxamide
CID 143752516
6-oxo-1-[2-oxo-2-(prop-2-ynylamino)ethyl]pyridine-3-carboxylic acid
CID 29276110

Frequently Asked Questions

What is the IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide (CID 70972239) is 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide is CNC(=O)c1ccc(=O)n(CC(=O)NCc2ccccc2)c1.
What is the InChIKey of 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
The InChIKey is GNMSQPYYPBGMAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-17-16(22)13-7-8-15(21)19(10-13)11-14(20)18-9-12-5-3-2-4-6-12/h2-8,10H,9,11H2,1H3,(H,17,22)(H,18,20).
What are the key properties of 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide?
1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 0.52, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(benzylamino)-2-oxoethyl]-N-methyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 70972239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).