N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide

C13H16N4O2 — CID 63716939

IUPACN-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H16N4O2/c1-9(2)7-17(8-12(15)18)13(19)11-4-3-10(5-14)6-16-11/h3-4,6,9H,7-8H2,1-2H3,(H2,15,18)
InChIKeyUESAVWIHCFHCTI-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.54
Rot. Bonds5

About N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide

N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide (PubChem CID 63716939) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
PubChem CID63716939
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC NameN-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide
SMILESCC(C)CN(CC(N)=O)C(=O)c1ccc(C#N)cn1
InChIInChI=1S/C13H16N4O2/c1-9(2)7-17(8-12(15)18)13(19)11-4-3-10(5-14)6-16-11/h3-4,6,9H,7-8H2,1-2H3,(H2,15,18)
InChIKeyUESAVWIHCFHCTI-UHFFFAOYSA-N
XLogP0.54
TPSA100.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-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

5-cyano-N,N-bis(cyanomethyl)pyridine-2-carboxamide
CID 63718638
5-cyano-N-ethyl-N-propylpyridine-2-carboxamide
CID 63717846
2-[(5-cyanopyridine-2-carbonyl)-[2-(dimethylamino)ethyl]amino]acetic acid
CID 107423977
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 103829397
N-butyl-5-cyano-N-ethylpyridine-2-carboxamide
CID 63719310
5-cyano-N-(2-hydroxyethyl)-N-propylpyridine-2-carboxamide
CID 63724052
N-(2-amino-2-oxoethyl)-N-ethyl-5-(3-hydroxyprop-1-ynyl)pyridine-2-carboxamide
CID 103103843
5-(aminomethyl)-N,N-bis(2-methylpropyl)pyridine-2-carboxamide
CID 55229435
5-cyano-N-methyl-N-[2-methyl-3-(methylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 103722252
methyl 3-[(5-cyanopyridine-2-carbonyl)-ethylamino]propanoate
CID 63717102
ethyl 2-[(5-cyanopyridine-2-carbonyl)-methylamino]acetate
CID 55231343
2-[(5-cyano-2-pyridinyl)-(2-methylpropyl)amino]acetic acid
CID 63064843

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide?
The IUPAC name of N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide (CID 63716939) is N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide is CC(C)CN(CC(N)=O)C(=O)c1ccc(C#N)cn1.
What is the InChIKey of N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide?
The InChIKey is UESAVWIHCFHCTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(2)7-17(8-12(15)18)13(19)11-4-3-10(5-14)6-16-11/h3-4,6,9H,7-8H2,1-2H3,(H2,15,18).
What are the key properties of N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide?
N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 0.54, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-oxoethyl)-5-cyano-N-(2-methylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 63716939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).