2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide

C15H17N3O2 — CID 168521727

IUPAC2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1c(NC(=O)CC#N)cccc1C(=O)N1CCCC1
InChIInChI=1S/C15H17N3O2/c1-11-12(15(20)18-9-2-3-10-18)5-4-6-13(11)17-14(19)7-8-16/h4-6H,2-3,7,9-10H2,1H3,(H,17,19)
InChIKeyFOLFWOKTJVDXEK-UHFFFAOYSA-N
MW271.32 g/mol
LogP2.08
Rot. Bonds3

About 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide

2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide (PubChem CID 168521727) has the molecular formula C15H17N3O2 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide.

Molecular Properties

Compound Name2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
PubChem CID168521727
Molecular FormulaC15H17N3O2
Molecular Weight271.32 g/mol
Exact Mass271.13
IUPAC Name2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
SMILESCc1c(NC(=O)CC#N)cccc1C(=O)N1CCCC1
InChIInChI=1S/C15H17N3O2/c1-11-12(15(20)18-9-2-3-10-18)5-4-6-13(11)17-14(19)7-8-16/h4-6H,2-3,7,9-10H2,1H3,(H,17,19)
InChIKeyFOLFWOKTJVDXEK-UHFFFAOYSA-N
XLogP2.08
TPSA73.20 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide;hydrochloride
CID 119310023
2-(4-aminophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 119760315
4-amino-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]pentanamide
CID 120561704
2-(1-hydroxycyclohexyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 111332036
2-cyano-N-[2-methyl-4-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 168521757
N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]-3-pyridin-2-ylpropanamide
CID 60610430
3-(2,4-dimethylphenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 60610174
2-(4-cyanoanilino)-N-[2-methyl-3-(morpholine-4-carbonyl)phenyl]acetamide
CID 48501237
2-[4-(difluoromethoxy)phenyl]-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide
CID 47089557
3-(4-bromo-2-fluorophenyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 52815742
3-amino-N-[2-methyl-3-(thiomorpholine-4-carbonyl)phenyl]propanamide;hydrochloride
CID 119310619
(2R)-2-(hydroxymethyl)-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]piperidine-1-carboxamide
CID 97283810

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The IUPAC name of 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide (CID 168521727) is 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide.
What is the SMILES notation for 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The canonical SMILES for 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide is Cc1c(NC(=O)CC#N)cccc1C(=O)N1CCCC1.
What is the InChIKey of 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
The InChIKey is FOLFWOKTJVDXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2/c1-11-12(15(20)18-9-2-3-10-18)5-4-6-13(11)17-14(19)7-8-16/h4-6H,2-3,7,9-10H2,1H3,(H,17,19).
What are the key properties of 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide?
2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide has a molecular weight of 271.32 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-[2-methyl-3-(pyrrolidine-1-carbonyl)phenyl]acetamide is sourced from PubChem (CID 168521727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).