1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide

C12H14N4O2 — CID 136539136

IUPAC1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2ccc(C#N)[nH]2)C1
InChIInChI=1S/C12H14N4O2/c1-12(11(14)18)4-5-16(7-12)10(17)9-3-2-8(6-13)15-9/h2-3,15H,4-5,7H2,1H3,(H2,14,18)
InChIKeyBLRLILJCIVSDRC-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.22
Rot. Bonds2

About 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide

1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide (PubChem CID 136539136) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide
PubChem CID136539136
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide
SMILESCC1(C(N)=O)CCN(C(=O)c2ccc(C#N)[nH]2)C1
InChIInChI=1S/C12H14N4O2/c1-12(11(14)18)4-5-16(7-12)10(17)9-3-2-8(6-13)15-9/h2-3,15H,4-5,7H2,1H3,(H2,14,18)
InChIKeyBLRLILJCIVSDRC-UHFFFAOYSA-N
XLogP0.22
TPSA102.98 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxamide
CID 114082421
3-methyl-1-(6-oxo-1H-pyridine-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 114040074
1-(2-iodobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 114082011
1-[3-(4-chlorophenyl)-1H-pyrazole-5-carbonyl]-3-methylpyrrolidine-3-carboxamide
CID 119037107
1-(2-bromopyridine-4-carbonyl)-3-methylpyrrolidine-3-carboxamide
CID 114081850
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151815
1-(4-bromo-2-fluorobenzoyl)-3-methylpyrrolidine-3-carboxamide
CID 114082008
3-methyl-1-(5-methyl-1H-1,2,4-triazole-3-carbonyl)pyrrolidine-3-carboxamide
CID 114082419
1-(4-aminobenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63144123
3-methyl-1-(pyridine-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 63142817
4-[(3S)-3-methyl-3-phenylpiperidine-1-carbonyl]-1H-pyrrole-2-carbonitrile
CID 124615496
1-benzoyl-4-methylpiperidine-4-carbothioamide
CID 107160872

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide (CID 136539136) is 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide is CC1(C(N)=O)CCN(C(=O)c2ccc(C#N)[nH]2)C1.
What is the InChIKey of 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide?
The InChIKey is BLRLILJCIVSDRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-12(11(14)18)4-5-16(7-12)10(17)9-3-2-8(6-13)15-9/h2-3,15H,4-5,7H2,1H3,(H2,14,18).
What are the key properties of 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide?
1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide has a molecular weight of 246.27 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyano-1H-pyrrole-2-carbonyl)-3-methylpyrrolidine-3-carboxamide is sourced from PubChem (CID 136539136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).