2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide

C13H18N4O — CID 90463881

IUPAC2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide
SMILESCNC(=O)c1cc(N2C[C@@H]3C2CN3C)ccc1N
InChIInChI=1S/C13H18N4O/c1-15-13(18)9-5-8(3-4-10(9)14)17-7-11-12(17)6-16(11)2/h3-5,11-12H,6-7,14H2,1-2H3,(H,15,18)/t11-,12?/m1/s1
InChIKeyHKGGQVRNNZEBGI-JHJMLUEUSA-N
MW246.31 g/mol
LogP0.13
Rot. Bonds2

About 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide

2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide (PubChem CID 90463881) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide.

Molecular Properties

Compound Name2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide
PubChem CID90463881
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide
SMILESCNC(=O)c1cc(N2C[C@@H]3C2CN3C)ccc1N
InChIInChI=1S/C13H18N4O/c1-15-13(18)9-5-8(3-4-10(9)14)17-7-11-12(17)6-16(11)2/h3-5,11-12H,6-7,14H2,1-2H3,(H,15,18)/t11-,12?/m1/s1
InChIKeyHKGGQVRNNZEBGI-JHJMLUEUSA-N
XLogP0.13
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide 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-5-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]benzamide
CID 67114778
2-amino-5-(3,4,5-trimethylpiperazin-1-yl)benzoic acid
CID 114539657
5-[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-aminobenzoic acid
CID 102727692
2-amino-5-hydroxy-N-methylbenzamide;ethane;prop-1-yne
CID 143940504
2-amino-5-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)benzoic acid
CID 81199834
2-amino-5-(2-hydroxyethoxy)-N-methylbenzamide
CID 70096875
1-(3,4-diaminophenyl)-N-methylpyrrolidine-2-carboxamide
CID 106750593
2-amino-5-(1,4-dioxaspiro[4.5]decan-8-yl)-N-methylbenzamide
CID 67253971
2-amino-5-[(2S)-4-ethyl-2-methylpiperazin-1-yl]benzamide
CID 153382151
2-amino-N-[(1,4-dimethylpiperazin-2-yl)methyl]-5-methylbenzamide
CID 63897503
methyl 2-amino-5-(3-methylpyrrolidin-1-yl)benzoate
CID 55137340
2-chloro-4-(4-chloro-2-oxopyrrolidin-1-yl)-N-methylbenzamide
CID 168687616

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide?
The IUPAC name of 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide (CID 90463881) is 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide.
What is the SMILES notation for 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide?
The canonical SMILES for 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide is CNC(=O)c1cc(N2C[C@@H]3C2CN3C)ccc1N.
What is the InChIKey of 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide?
The InChIKey is HKGGQVRNNZEBGI-JHJMLUEUSA-N. The full InChI is InChI=1S/C13H18N4O/c1-15-13(18)9-5-8(3-4-10(9)14)17-7-11-12(17)6-16(11)2/h3-5,11-12H,6-7,14H2,1-2H3,(H,15,18)/t11-,12?/m1/s1.
What are the key properties of 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide?
2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide has a molecular weight of 246.31 g/mol, XLogP of 0.13, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-5-[(4R)-5-methyl-2,5-diazabicyclo[2.2.0]hexan-2-yl]benzamide is sourced from PubChem (CID 90463881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).