N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide

C14H19N5O — CID 129247086

IUPACN-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide
SMILESN#CN1CC[C@H](CNC(=O)c2cn(CC3CC3)cn2)C1
InChIInChI=1S/C14H19N5O/c15-9-18-4-3-12(7-18)5-16-14(20)13-8-19(10-17-13)6-11-1-2-11/h8,10-12H,1-7H2,(H,16,20)/t12-/m1/s1
InChIKeyZMYDRZWNHZKCMN-GFCCVEGCSA-N
MW273.34 g/mol
LogP0.83
Rot. Bonds5

About N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide

N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide (PubChem CID 129247086) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide
PubChem CID129247086
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide
SMILESN#CN1CC[C@H](CNC(=O)c2cn(CC3CC3)cn2)C1
InChIInChI=1S/C14H19N5O/c15-9-18-4-3-12(7-18)5-16-14(20)13-8-19(10-17-13)6-11-1-2-11/h8,10-12H,1-7H2,(H,16,20)/t12-/m1/s1
InChIKeyZMYDRZWNHZKCMN-GFCCVEGCSA-N
XLogP0.83
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

Analyze N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide?
The IUPAC name of N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide (CID 129247086) is N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide?
The canonical SMILES for N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide is N#CN1CC[C@H](CNC(=O)c2cn(CC3CC3)cn2)C1.
What is the InChIKey of N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide?
The InChIKey is ZMYDRZWNHZKCMN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H19N5O/c15-9-18-4-3-12(7-18)5-16-14(20)13-8-19(10-17-13)6-11-1-2-11/h8,10-12H,1-7H2,(H,16,20)/t12-/m1/s1.
What are the key properties of N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide?
N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.83, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyanopyrrolidin-3-yl]methyl]-1-(cyclopropylmethyl)imidazole-4-carboxamide is sourced from PubChem (CID 129247086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).