N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide

C16H21N3O2 — CID 60711549

IUPACN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2)ccc1N1CCCC1=O
InChIInChI=1S/C16H21N3O2/c1-11-10-12(18-16(21)13-4-2-8-17-13)6-7-14(11)19-9-3-5-15(19)20/h6-7,10,13,17H,2-5,8-9H2,1H3,(H,18,21)
InChIKeyFDNKXQNCYYMNFZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.81
Rot. Bonds3

About N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide

N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide (PubChem CID 60711549) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
PubChem CID60711549
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2)ccc1N1CCCC1=O
InChIInChI=1S/C16H21N3O2/c1-11-10-12(18-16(21)13-4-2-8-17-13)6-7-14(11)19-9-3-5-15(19)20/h6-7,10,13,17H,2-5,8-9H2,1H3,(H,18,21)
InChIKeyFDNKXQNCYYMNFZ-UHFFFAOYSA-N
XLogP1.81
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119699368
N-[3-methyl-4-(2-oxopiperidin-1-yl)phenyl]cyclopropanecarboxamide
CID 7687364
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119290061
N-[3-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119273024
N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]piperidine-2-carboxamide
CID 119290026
N-[4-(2-oxopyrrolidin-1-yl)phenyl]piperidine-2-carboxamide;hydrochloride
CID 119270698
N'-(3,5-dimethylphenyl)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679282
N-[3-(2-oxopiperidin-1-yl)phenyl]pyrrolidine-2-carboxamide
CID 119289998
(3R)-N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 51982092
(2S)-N-(4-fluoro-3-methylphenyl)pyrrolidine-2-carboxamide
CID 62812681
N-cyclohexyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679262
N-cycloheptyl-N'-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 18584403

Frequently Asked Questions

What is the IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide (CID 60711549) is N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide is Cc1cc(NC(=O)C2CCCN2)ccc1N1CCCC1=O.
What is the InChIKey of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
The InChIKey is FDNKXQNCYYMNFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-10-12(18-16(21)13-4-2-8-17-13)6-7-14(11)19-9-3-5-15(19)20/h6-7,10,13,17H,2-5,8-9H2,1H3,(H,18,21).
What are the key properties of N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide?
N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.81, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methyl-4-(2-oxopyrrolidin-1-yl)phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 60711549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).