N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide

C6H11N5O — CID 130626263

IUPACN-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide
SMILESC/N=C(\N)NCC(=O)NCC#N
InChIInChI=1S/C6H11N5O/c1-9-6(8)11-4-5(12)10-3-2-7/h3-4H2,1H3,(H,10,12)(H3,8,9,11)
InChIKeyIZSUASTUHWTKMO-UHFFFAOYSA-N
MW169.19 g/mol
LogP-1.84
Rot. Bonds3

About N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide

N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide (PubChem CID 130626263) has the molecular formula C6H11N5O and a molecular weight of 169.19 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide
PubChem CID130626263
Molecular FormulaC6H11N5O
Molecular Weight169.19 g/mol
Exact Mass169.10
IUPAC NameN-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide
SMILESC/N=C(\N)NCC(=O)NCC#N
InChIInChI=1S/C6H11N5O/c1-9-6(8)11-4-5(12)10-3-2-7/h3-4H2,1H3,(H,10,12)(H3,8,9,11)
InChIKeyIZSUASTUHWTKMO-UHFFFAOYSA-N
XLogP-1.84
TPSA103.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.19
LogP ≤ 5-1.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanamide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N-(cyanomethyl)-2-formamidoacetamide
CID 143975878
1-(hydroxymethyl)-2-methylguanidine
CID 134159651
N-(cyanomethyl)-2-(2-methylsulfonylethylamino)acetamide
CID 60918929
N-(cyanomethyl)-2-(cyclopropylmethylamino)acetamide
CID 28566856
2-[[2-(tert-butylamino)-2-oxoethyl]amino]-N-(cyanomethyl)acetamide
CID 115356626
N-(cyanomethyl)-2-(4-methylpentan-2-ylamino)acetamide
CID 43372205
2-(aminomethoxy)-N-(cyanomethyl)acetamide
CID 146237551
N-(cyanomethyl)-3-methylbutanamide
CID 4630751
4-(cyanomethylamino)-4-oxobutanoic acid
CID 23023570
N-(cyanomethyl)-2-(1-hydroxybutan-2-ylamino)acetamide
CID 43499785
N-(cyanomethyl)-2-(3-methoxypropylamino)acetamide
CID 43153290
2-(1-aminopropan-2-ylsulfonyl)-N-(cyanomethyl)acetamide
CID 81187394

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide (CID 130626263) is N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide is C/N=C(\N)NCC(=O)NCC#N.
What is the InChIKey of N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide?
The InChIKey is IZSUASTUHWTKMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O/c1-9-6(8)11-4-5(12)10-3-2-7/h3-4H2,1H3,(H,10,12)(H3,8,9,11).
What are the key properties of N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide?
N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide has a molecular weight of 169.19 g/mol, XLogP of -1.84, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[(N'-methylcarbamimidoyl)amino]acetamide is sourced from PubChem (CID 130626263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).