2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide

C13H14N4O3 — CID 78965442

IUPAC2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(C#N)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C13H14N4O3/c1-13(15,9-3-4-9)12(18)16-10-5-2-8(7-14)6-11(10)17(19)20/h2,5-6,9H,3-4,15H2,1H3,(H,16,18)
InChIKeyDRUOGMHNYWAPDG-UHFFFAOYSA-N
MW274.28 g/mol
LogP1.53
Rot. Bonds4

About 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide

2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide (PubChem CID 78965442) has the molecular formula C13H14N4O3 and a molecular weight of 274.28 g/mol. Its IUPAC name is 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide.

Molecular Properties

Compound Name2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide
PubChem CID78965442
Molecular FormulaC13H14N4O3
Molecular Weight274.28 g/mol
Exact Mass274.11
IUPAC Name2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide
SMILESCC(N)(C(=O)Nc1ccc(C#N)cc1[N+](=O)[O-])C1CC1
InChIInChI=1S/C13H14N4O3/c1-13(15,9-3-4-9)12(18)16-10-5-2-8(7-14)6-11(10)17(19)20/h2,5-6,9H,3-4,15H2,1H3,(H,16,18)
InChIKeyDRUOGMHNYWAPDG-UHFFFAOYSA-N
XLogP1.53
TPSA122.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide 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-amino-N-(2-chloro-4-nitrophenyl)-2-cyclopropylpropanamide
CID 54925136
N-(4-cyano-2-nitrophenyl)-3-methylpyrrolidine-2-carboxamide
CID 102779515
2-cyano-N-(4-cyano-2-nitrophenyl)propanamide
CID 107856935
4-(cyclopropylamino)-3-nitrobenzonitrile
CID 5215354
4-[(4-ethylcyclohexyl)methylamino]-3-nitrobenzonitrile
CID 63540842
3-nitro-4-(thian-4-ylmethylamino)benzonitrile
CID 115625273
(2S)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795882
N-(4-cyano-2-nitrophenyl)-4-methylpyrrolidine-3-carboxamide
CID 78965474
(2R)-2-(4-cyano-2-nitroanilino)-N-cyclopentylpropanamide
CID 94795883
3-(4-cyano-2-nitrophenyl)-1-ethyl-1-methylurea
CID 116656212
2-bromo-N-(4-cyano-2-nitrophenyl)-3-methylbutanamide
CID 78965252
2-amino-N-(4-cyano-2-nitrophenyl)pentanamide
CID 78965671

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide?
The IUPAC name of 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide (CID 78965442) is 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide.
What is the SMILES notation for 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide?
The canonical SMILES for 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide is CC(N)(C(=O)Nc1ccc(C#N)cc1[N+](=O)[O-])C1CC1.
What is the InChIKey of 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide?
The InChIKey is DRUOGMHNYWAPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O3/c1-13(15,9-3-4-9)12(18)16-10-5-2-8(7-14)6-11(10)17(19)20/h2,5-6,9H,3-4,15H2,1H3,(H,16,18).
What are the key properties of 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide?
2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide has a molecular weight of 274.28 g/mol, XLogP of 1.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(4-cyano-2-nitrophenyl)-2-cyclopropylpropanamide is sourced from PubChem (CID 78965442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).