4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

C21H21N3O2 — CID 56902155

IUPAC4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1c[nH]c(C(=O)NC2CC(=O)N(Cc3cccc4ccccc34)C2)c1
InChIInChI=1S/C21H21N3O2/c1-14-9-19(22-11-14)21(26)23-17-10-20(25)24(13-17)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-9,11,17,22H,10,12-13H2,1H3,(H,23,26)
InChIKeyMAZIOUSQBRSKRA-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.01
Rot. Bonds4

About 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide

4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (PubChem CID 56902155) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
PubChem CID56902155
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide
SMILESCc1c[nH]c(C(=O)NC2CC(=O)N(Cc3cccc4ccccc34)C2)c1
InChIInChI=1S/C21H21N3O2/c1-14-9-19(22-11-14)21(26)23-17-10-20(25)24(13-17)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-9,11,17,22H,10,12-13H2,1H3,(H,23,26)
InChIKeyMAZIOUSQBRSKRA-UHFFFAOYSA-N
XLogP3.01
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 56912345
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 26315441
3-hydroxy-2-methyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]benzamide
CID 95724518
N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-2-oxo-1H-pyridine-3-carboxamide
CID 95721627
4,6-dimethyl-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-3-carboxamide
CID 95711538
1-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-3-propylurea
CID 25306313
2-methylsulfanyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45226277
3,5-dimethyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1,2-oxazole-4-carboxamide
CID 56904815
5-chloro-N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyridine-2-carboxamide
CID 95712863
1-methyl-N-[(3R)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]pyrazole-4-carboxamide
CID 95719674
N-[(3S)-1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]thiophene-3-carboxamide
CID 42392664
2-acetamido-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]acetamide
CID 45233435

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide (CID 56902155) is 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is Cc1c[nH]c(C(=O)NC2CC(=O)N(Cc3cccc4ccccc34)C2)c1.
What is the InChIKey of 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is MAZIOUSQBRSKRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-14-9-19(22-11-14)21(26)23-17-10-20(25)24(13-17)12-16-7-4-6-15-5-2-3-8-18(15)16/h2-9,11,17,22H,10,12-13H2,1H3,(H,23,26).
What are the key properties of 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide?
4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 347.42 g/mol, XLogP of 3.01, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[1-(naphthalen-1-ylmethyl)-5-oxopyrrolidin-3-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 56902155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).