2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide

C13H16N4O — CID 43577880

IUPAC2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1ccc(C#N)cc1N
InChIInChI=1S/C13H16N4O/c1-17(8-13(18)16-10-3-4-10)12-5-2-9(7-14)6-11(12)15/h2,5-6,10H,3-4,8,15H2,1H3,(H,16,18)
InChIKeyHBPNHPRDZASMNI-UHFFFAOYSA-N
MW244.30 g/mol
LogP0.86
Rot. Bonds4

About 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide

2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide (PubChem CID 43577880) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide.

Molecular Properties

Compound Name2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
PubChem CID43577880
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC Name2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide
SMILESCN(CC(=O)NC1CC1)c1ccc(C#N)cc1N
InChIInChI=1S/C13H16N4O/c1-17(8-13(18)16-10-3-4-10)12-5-2-9(7-14)6-11(12)15/h2,5-6,10H,3-4,8,15H2,1H3,(H,16,18)
InChIKeyHBPNHPRDZASMNI-UHFFFAOYSA-N
XLogP0.86
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2-amino-4-cyano-N-methylanilino)-N-methylacetamide
CID 43518183
3-amino-4-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]-N-methylbenzamide
CID 82989263
3-(2-amino-4-cyanophenoxy)-N-cyclopropylpropanamide
CID 55098582
2-(5-amino-N,2-dimethylanilino)-N-cyclopropylacetamide
CID 62588683
methyl 4-amino-3-[[2-(cyclopropylamino)-2-oxoethyl]-methylamino]benzoate
CID 82785492
N-cyclopropyl-2-[4-(hydroxymethyl)-N,2-dimethylanilino]acetamide
CID 62122234
3-amino-4-[methyl(propyl)amino]benzonitrile
CID 43518165
2-[2-(4-cyanophenoxy)ethyl-methylamino]-N-cyclopropylacetamide
CID 60670088
2-[(3-amino-4-pyridinyl)-methylamino]-N-cycloheptylacetamide
CID 62575287
2-[(5-amino-1H-indazol-6-yl)-methylamino]-N-cyclopropylacetamide
CID 107488994
2-[(5-amino-2-oxo-1,3-dihydroindol-6-yl)-methylamino]-N-cyclopropylacetamide
CID 43577859
3-amino-4-[methyl(2-methylsulfonylethyl)amino]benzonitrile
CID 79850532

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide?
The IUPAC name of 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide (CID 43577880) is 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide.
What is the SMILES notation for 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide?
The canonical SMILES for 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide is CN(CC(=O)NC1CC1)c1ccc(C#N)cc1N.
What is the InChIKey of 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide?
The InChIKey is HBPNHPRDZASMNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-17(8-13(18)16-10-3-4-10)12-5-2-9(7-14)6-11(12)15/h2,5-6,10H,3-4,8,15H2,1H3,(H,16,18).
What are the key properties of 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide?
2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide has a molecular weight of 244.30 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyano-N-methylanilino)-N-cyclopropylacetamide is sourced from PubChem (CID 43577880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).