2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide

C10H14N4O — CID 55208182

IUPAC2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1ccnc1)NC(=O)C(C)C#N
InChIInChI=1S/C10H14N4O/c1-8(5-11)10(15)13-9(2)6-14-4-3-12-7-14/h3-4,7-9H,6H2,1-2H3,(H,13,15)
InChIKeyIMTJTXAQRBNOSQ-UHFFFAOYSA-N
MW206.25 g/mol
LogP0.55
Rot. Bonds4

About 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide

2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide (PubChem CID 55208182) has the molecular formula C10H14N4O and a molecular weight of 206.25 g/mol. Its IUPAC name is 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide.

Molecular Properties

Compound Name2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide
PubChem CID55208182
Molecular FormulaC10H14N4O
Molecular Weight206.25 g/mol
Exact Mass206.12
IUPAC Name2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide
SMILESCC(Cn1ccnc1)NC(=O)C(C)C#N
InChIInChI=1S/C10H14N4O/c1-8(5-11)10(15)13-9(2)6-14-4-3-12-7-14/h3-4,7-9H,6H2,1-2H3,(H,13,15)
InChIKeyIMTJTXAQRBNOSQ-UHFFFAOYSA-N
XLogP0.55
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(1-imidazol-1-ylpropan-2-yl)propanamide
CID 43695457
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpentanamide
CID 61155803
2-(1-imidazol-1-ylpropan-2-ylamino)-2-oxoacetic acid
CID 61480681
N-[2-[[(2S)-1-imidazol-1-ylpropan-2-yl]carbamoylamino]ethyl]-2-methylpropanamide
CID 94162041
(2S)-2-amino-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107568307
3-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)butanoic acid
CID 54957826
3-amino-N-(1-imidazol-1-ylpropan-2-yl)-3-sulfanylidenepropanamide
CID 61482794
2-(1-imidazol-1-ylpropan-2-ylamino)-N-propan-2-ylacetamide
CID 61482336
(2S)-2-(1-imidazol-1-ylpropan-2-ylcarbamoylamino)-3-methylbutanoic acid
CID 61480675
3-(1-imidazol-1-ylpropan-2-ylamino)-N-methylpropanamide
CID 62324788
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)pentanamide
CID 107908503
N-(1-imidazol-1-ylpropan-2-yl)-4-(propan-2-ylamino)butanamide
CID 54927698

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide?
The IUPAC name of 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide (CID 55208182) is 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide.
What is the SMILES notation for 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide?
The canonical SMILES for 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide is CC(Cn1ccnc1)NC(=O)C(C)C#N.
What is the InChIKey of 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide?
The InChIKey is IMTJTXAQRBNOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O/c1-8(5-11)10(15)13-9(2)6-14-4-3-12-7-14/h3-4,7-9H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide?
2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide has a molecular weight of 206.25 g/mol, XLogP of 0.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1-imidazol-1-ylpropan-2-yl)propanamide is sourced from PubChem (CID 55208182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).