1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide

C15H17N3O2 — CID 106151815

IUPAC1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C15H17N3O2/c1-15(14(20)17-2)6-7-18(10-15)13(19)12-5-3-4-11(8-12)9-16/h3-5,8H,6-7,10H2,1-2H3,(H,17,20)
InChIKeyKPYHEESZTJIVIN-UHFFFAOYSA-N
MW271.32 g/mol
LogP1.16
Rot. Bonds2

About 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide

1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide (PubChem CID 106151815) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
PubChem CID106151815
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
SMILESCNC(=O)C1(C)CCN(C(=O)c2cccc(C#N)c2)C1
InChIInChI=1S/C15H17N3O2/c1-15(14(20)17-2)6-7-18(10-15)13(19)12-5-3-4-11(8-12)9-16/h3-5,8H,6-7,10H2,1-2H3,(H,17,20)
InChIKeyKPYHEESZTJIVIN-UHFFFAOYSA-N
XLogP1.16
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-amino-3-methylbenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317442
1-[2-(4-cyanophenyl)acetyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151787
1-(2-amino-5-cyanophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317647
1-(2,6-dichloropyridine-4-carbonyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151782
1-[4-(chloromethyl)benzoyl]-N,3-dimethylpyrrolidine-3-carboxamide
CID 106317992
3-[(5R)-2-methyl-7-oxa-2,10-diazaspiro[4.6]undecane-10-carbonyl]benzonitrile
CID 97471967
1-[3-(1H-indol-6-yl)benzoyl]-N,4-dimethylpiperidine-4-carboxamide
CID 118764711
3-(4-ethylpiperazine-1-carbonyl)benzonitrile
CID 24705245
3-(4-propanoylpiperazine-1-carbonyl)benzonitrile
CID 110817109
1-(2,4-dihydroxybenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106151768
(3S)-1-(3-methoxybenzoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 95020177
1-(4-cyano-2,6-difluorophenyl)-N,3-dimethylpyrrolidine-3-carboxamide
CID 106150508

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide (CID 106151815) is 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide is CNC(=O)C1(C)CCN(C(=O)c2cccc(C#N)c2)C1.
What is the InChIKey of 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
The InChIKey is KPYHEESZTJIVIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-15(14(20)17-2)6-7-18(10-15)13(19)12-5-3-4-11(8-12)9-16/h3-5,8H,6-7,10H2,1-2H3,(H,17,20).
What are the key properties of 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide?
1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide has a molecular weight of 271.32 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyanobenzoyl)-N,3-dimethylpyrrolidine-3-carboxamide is sourced from PubChem (CID 106151815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).