2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide

C10H12N4O — CID 55210692

IUPAC2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccnc(C#N)c1
InChIInChI=1S/C10H12N4O/c1-2-12-10(15)7-14-8-3-4-13-9(5-8)6-11/h3-5H,2,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyLCOPTYQDJIAGMX-UHFFFAOYSA-N
MW204.23 g/mol
LogP0.50
Rot. Bonds4

About 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide

2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide (PubChem CID 55210692) has the molecular formula C10H12N4O and a molecular weight of 204.23 g/mol. Its IUPAC name is 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide
PubChem CID55210692
Molecular FormulaC10H12N4O
Molecular Weight204.23 g/mol
Exact Mass204.10
IUPAC Name2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide
SMILESCCNC(=O)CNc1ccnc(C#N)c1
InChIInChI=1S/C10H12N4O/c1-2-12-10(15)7-14-8-3-4-13-9(5-8)6-11/h3-5H,2,7H2,1H3,(H,12,15)(H,13,14)
InChIKeyLCOPTYQDJIAGMX-UHFFFAOYSA-N
XLogP0.50
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide 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

2-[(2-cyano-4-pyridinyl)amino]acetamide
CID 62924991
4-[2-(propylamino)ethylamino]pyridine-2-carbonitrile
CID 62926078
4-(methylamino)pyridine-2-carbonitrile
CID 45079907
3-[(2-cyano-4-pyridinyl)amino]butanoic acid
CID 62926548
4-(2-methoxyethylamino)pyridine-2-carbonitrile
CID 62924815
4-(2,3-dimethylbutylamino)pyridine-2-carbonitrile
CID 64596884
4-[4-(dimethylamino)butylamino]pyridine-2-carbonitrile
CID 62925537
3-[(2-cyano-4-pyridinyl)amino]-2,2,3-trimethylbutanoic acid
CID 65265896
4-[2-[(2-cyano-4-pyridinyl)amino]ethyl]benzoic acid
CID 62924635
2-(3-aminoanilino)-N-ethylacetamide
CID 43566786
4-(3,3,3-trifluoropropylamino)pyridine-2-carbonitrile
CID 63226781
4-(3-aminopropylamino)pyridine-2-carbonitrile
CID 62926383

Frequently Asked Questions

What is the IUPAC name of 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide?
The IUPAC name of 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide (CID 55210692) is 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide.
What is the SMILES notation for 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide?
The canonical SMILES for 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide is CCNC(=O)CNc1ccnc(C#N)c1.
What is the InChIKey of 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide?
The InChIKey is LCOPTYQDJIAGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O/c1-2-12-10(15)7-14-8-3-4-13-9(5-8)6-11/h3-5H,2,7H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide?
2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide has a molecular weight of 204.23 g/mol, XLogP of 0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-cyano-4-pyridinyl)amino]-N-ethylacetamide is sourced from PubChem (CID 55210692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).