2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide

C13H18N4O — CID 103106779

IUPAC2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc(C#N)cc1N
InChIInChI=1S/C13H18N4O/c1-4-17(3)13(18)9(2)16-12-6-5-10(8-14)7-11(12)15/h5-7,9,16H,4,15H2,1-3H3
InChIKeyAUUAMUHWVRDXFH-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.42
Rot. Bonds4

About 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide

2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide (PubChem CID 103106779) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
PubChem CID103106779
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)C(C)Nc1ccc(C#N)cc1N
InChIInChI=1S/C13H18N4O/c1-4-17(3)13(18)9(2)16-12-6-5-10(8-14)7-11(12)15/h5-7,9,16H,4,15H2,1-3H3
InChIKeyAUUAMUHWVRDXFH-UHFFFAOYSA-N
XLogP1.42
TPSA82.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.42
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-nitroanilino)-N-ethyl-N-methylpropanamide
CID 103106754
3-amino-4-[[(2S)-butan-2-yl]amino]benzonitrile
CID 93094061
3-amino-4-[[(2S)-pentan-2-yl]amino]benzonitrile
CID 93094065
2-[(5-amino-6-cyano-2-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103469330
3-amino-4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]benzonitrile
CID 54953458
2-(2-amino-5-bromo-4-fluoroanilino)-N-ethyl-N-methylpropanamide
CID 103106654
3-amino-4-(4-hydroxybutan-2-ylamino)benzonitrile
CID 83177951
3-amino-4-(hexan-2-ylamino)benzonitrile
CID 62196415
2-(5-cyano-2-nitroanilino)-N,N-diethylpropanamide
CID 104713833
2-[(2-cyano-4-pyridinyl)amino]-N-ethyl-N-methylpropanamide
CID 103110286
propan-2-yl N-(2-amino-4-cyanophenyl)carbamate
CID 78965446
ethyl 2-(2-bromo-4-cyanoanilino)propanoate
CID 82798391

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide?
The IUPAC name of 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide (CID 103106779) is 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide?
The canonical SMILES for 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide is CCN(C)C(=O)C(C)Nc1ccc(C#N)cc1N.
What is the InChIKey of 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide?
The InChIKey is AUUAMUHWVRDXFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-4-17(3)13(18)9(2)16-12-6-5-10(8-14)7-11(12)15/h5-7,9,16H,4,15H2,1-3H3.
What are the key properties of 2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide?
2-(2-amino-4-cyanoanilino)-N-ethyl-N-methylpropanamide has a molecular weight of 246.31 g/mol, XLogP of 1.42, 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-cyanoanilino)-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 103106779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).