2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide

C10H14N4O — CID 64530573

IUPAC2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide
SMILESCCCC(C#N)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C10H14N4O/c1-2-3-8(6-11)10(15)14-7-9-12-4-5-13-9/h4-5,8H,2-3,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyKKLAPSNMWGJOSZ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.97
Rot. Bonds5

About 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide

2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide (PubChem CID 64530573) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide.

Molecular Properties

Compound Name2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide
PubChem CID64530573
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide
SMILESCCCC(C#N)C(=O)NCc1ncc[nH]1
InChIInChI=1S/C10H14N4O/c1-2-3-8(6-11)10(15)14-7-9-12-4-5-13-9/h4-5,8H,2-3,7H2,1H3,(H,12,13)(H,14,15)
InChIKeyKKLAPSNMWGJOSZ-UHFFFAOYSA-N
XLogP0.97
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide 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

4-(1H-imidazol-2-ylmethylamino)-2,3-dimethyl-4-oxobutanoic acid
CID 103498569
3-chloro-N-(1H-imidazol-2-ylmethyl)-2-methylpropanamide
CID 64532215
4-amino-5-(1H-imidazol-2-ylmethylamino)-5-oxopentanoic acid
CID 64889363
propan-2-yl N-(1H-imidazol-2-ylmethyl)carbamate
CID 64530068
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
2-cyano-N-(6-oxo-1H-pyridazin-3-yl)pentanamide
CID 116787071
2-cyano-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pentanamide
CID 79236197
2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 71984266
2-(1H-imidazol-2-ylmethylamino)-2-oxoacetic acid
CID 64524937
2-cyano-N-(3-hydroxy-2-methylpropyl)pentanamide
CID 65036419
(2R)-2-[[1-(1H-imidazol-2-ylmethylamino)-4-methyl-1-oxopentan-2-yl]amino]butanoic acid
CID 70080723
(2R)-2-amino-N-(1H-imidazol-2-ylmethyl)-2-phenylacetamide
CID 64529573

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide?
The IUPAC name of 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide (CID 64530573) is 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide.
What is the SMILES notation for 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide?
The canonical SMILES for 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide is CCCC(C#N)C(=O)NCc1ncc[nH]1.
What is the InChIKey of 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide?
The InChIKey is KKLAPSNMWGJOSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-2-3-8(6-11)10(15)14-7-9-12-4-5-13-9/h4-5,8H,2-3,7H2,1H3,(H,12,13)(H,14,15).
What are the key properties of 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide?
2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide has a molecular weight of 206.25 g/mol, XLogP of 0.97, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1H-imidazol-2-ylmethyl)pentanamide is sourced from PubChem (CID 64530573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).