4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide

C12H13N5O — CID 126439244

IUPAC4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)[nH]1
InChIInChI=1S/C12H13N5O/c1-7-5-15-11(16-7)8(2)17-12(18)10-3-9(4-13)6-14-10/h3,5-6,8,14H,1-2H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyPQXLIHQJWSKLLQ-MRVPVSSYSA-N
MW243.27 g/mol
LogP1.41
Rot. Bonds3

About 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide

4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (PubChem CID 126439244) has the molecular formula C12H13N5O and a molecular weight of 243.27 g/mol. Its IUPAC name is 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
PubChem CID126439244
Molecular FormulaC12H13N5O
Molecular Weight243.27 g/mol
Exact Mass243.11
IUPAC Name4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
SMILESCc1cnc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)[nH]1
InChIInChI=1S/C12H13N5O/c1-7-5-15-11(16-7)8(2)17-12(18)10-3-9(4-13)6-14-10/h3,5-6,8,14H,1-2H3,(H,15,16)(H,17,18)/t8-/m1/s1
InChIKeyPQXLIHQJWSKLLQ-MRVPVSSYSA-N
XLogP1.41
TPSA97.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide 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-chloro-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 126450169
4-methyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 125443312
6-amino-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 122572343
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-methylsulfanyl-1,3-thiazole-4-carboxamide
CID 125444590
4-cyano-N-[1-[4-(2,4-dichlorophenyl)-1,3-thiazol-2-yl]ethyl]-1H-pyrrole-2-carboxamide
CID 154839930
4-bromo-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 103722970
1,6-dimethyl-N-[(1S)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-2-oxopyridine-3-carboxamide
CID 126435307
4-cyano-N-[(1S)-2-(4-methylphenyl)-1-pyridin-3-ylethyl]-1H-pyrrole-2-carboxamide
CID 97220633
N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 125442654
N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]-4-piperidin-1-ylbenzamide
CID 91796198
2-(4-ethoxyphenyl)-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 91792347
3-methyl-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1-propylpyrazole-4-carboxamide
CID 125436634

Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide (CID 126439244) is 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is Cc1cnc([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)[nH]1.
What is the InChIKey of 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PQXLIHQJWSKLLQ-MRVPVSSYSA-N. The full InChI is InChI=1S/C12H13N5O/c1-7-5-15-11(16-7)8(2)17-12(18)10-3-9(4-13)6-14-10/h3,5-6,8,14H,1-2H3,(H,15,16)(H,17,18)/t8-/m1/s1.
What are the key properties of 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide?
4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide has a molecular weight of 243.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[(1R)-1-(5-methyl-1H-imidazol-2-yl)ethyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 126439244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).