3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide

C11H15N5O — CID 107811889

IUPAC3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide
SMILESNN/C(=N\C1CC1)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15N5O/c12-10(17)7-2-1-3-9(6-7)15-11(16-13)14-8-4-5-8/h1-3,6,8H,4-5,13H2,(H2,12,17)(H2,14,15,16)
InChIKeyRJYGCAWZPOQJJH-UHFFFAOYSA-N
MW233.28 g/mol
LogP0.18
Rot. Bonds3

About 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide

3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide (PubChem CID 107811889) has the molecular formula C11H15N5O and a molecular weight of 233.28 g/mol. Its IUPAC name is 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide.

Molecular Properties

Compound Name3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide
PubChem CID107811889
Molecular FormulaC11H15N5O
Molecular Weight233.28 g/mol
Exact Mass233.13
IUPAC Name3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide
SMILESNN/C(=N\C1CC1)Nc1cccc(C(N)=O)c1
InChIInChI=1S/C11H15N5O/c12-10(17)7-2-1-3-9(6-7)15-11(16-13)14-8-4-5-8/h1-3,6,8H,4-5,13H2,(H2,12,17)(H2,14,15,16)
InChIKeyRJYGCAWZPOQJJH-UHFFFAOYSA-N
XLogP0.18
TPSA105.53 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.28
LogP ≤ 50.18
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[3-[(N-amino-N'-cyclopentylcarbamimidoyl)amino]phenyl]acetamide
CID 116512225
1-amino-2-cyclopropyl-3-(3-phenoxyphenyl)guanidine
CID 116514298
3-[[N-amino-N'-(2-methylpropyl)carbamimidoyl]amino]benzamide
CID 107811886
1-amino-3-(1,3-benzodioxol-5-yl)-2-cyclopropylguanidine
CID 116511344
N-[4-[(N-amino-N'-cyclohexylcarbamimidoyl)amino]phenyl]acetamide
CID 116511348
1-amino-3-(1,3-benzothiazol-6-yl)-2-cyclopropylguanidine
CID 114003331
3-hydrazinylbenzamide;hydrochloride
CID 90487444
N-(3-carbamoylphenyl)piperidine-4-carboxamide;hydrochloride
CID 119270283
3-(carbamoylamino)-N-cyclopropylbenzamide
CID 9210111
1-amino-3-(3-bromo-4-methoxyphenyl)-2-cyclopropylguanidine
CID 116515381
2-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103977967
3-[(3-carbamoylphenyl)carbamoyl]cyclopentane-1-carboxylic acid
CID 103549960

Frequently Asked Questions

What is the IUPAC name of 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide?
The IUPAC name of 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide (CID 107811889) is 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide.
What is the SMILES notation for 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide?
The canonical SMILES for 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide is NN/C(=N\C1CC1)Nc1cccc(C(N)=O)c1.
What is the InChIKey of 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide?
The InChIKey is RJYGCAWZPOQJJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c12-10(17)7-2-1-3-9(6-7)15-11(16-13)14-8-4-5-8/h1-3,6,8H,4-5,13H2,(H2,12,17)(H2,14,15,16).
What are the key properties of 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide?
3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide has a molecular weight of 233.28 g/mol, XLogP of 0.18, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(N-amino-N'-cyclopropylcarbamimidoyl)amino]benzamide is sourced from PubChem (CID 107811889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).