1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C18H23N3O2 — CID 46110061

IUPAC1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C18H23N3O2/c22-17-8-15(18(23)20-10-13-2-1-5-19-9-13)11-21(17)16-7-12-3-4-14(16)6-12/h1-2,5,9,12,14-16H,3-4,6-8,10-11H2,(H,20,23)
InChIKeyROGQZJDLYWFKHI-UHFFFAOYSA-N
MW313.40 g/mol
LogP1.73
Rot. Bonds4

About 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 46110061) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID46110061
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(=O)N(C2CC3CCC2C3)C1
InChIInChI=1S/C18H23N3O2/c22-17-8-15(18(23)20-10-13-2-1-5-19-9-13)11-21(17)16-7-12-3-4-14(16)6-12/h1-2,5,9,12,14-16H,3-4,6-8,10-11H2,(H,20,23)
InChIKeyROGQZJDLYWFKHI-UHFFFAOYSA-N
XLogP1.73
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide with MolForge

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Related Compounds

1-[(1S,2R,4S)-bicyclo[2.2.1]heptane-2-carbonyl]-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 98763014
(3S)-1-(4-chlorophenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 796278
(3R)-1-(3,5-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 28893428
5-oxo-N-(pyridin-3-ylmethyl)-1-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188698
1-(2-bicyclo[2.2.1]heptanyl)-N-[2-(1H-indol-3-yl)ethyl]-5-oxopyrrolidine-3-carboxamide
CID 42882027
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
1-(2,4-dimethylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 17152021
5-oxo-N-(pyridin-3-ylmethyl)-1-[2-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 113188552
(3S)-5-oxo-N-(pyridin-3-ylmethyl)-1-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolidine-3-carboxamide
CID 51720889
N-(pyridin-3-ylmethyl)adamantane-2-carboxamide
CID 46532026
(3S)-1-(2-ethyl-6-methylphenyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
CID 29183622

Frequently Asked Questions

What is the IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 46110061) is 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccnc1)C1CC(=O)N(C2CC3CCC2C3)C1.
What is the InChIKey of 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is ROGQZJDLYWFKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c22-17-8-15(18(23)20-10-13-2-1-5-19-9-13)11-21(17)16-7-12-3-4-14(16)6-12/h1-2,5,9,12,14-16H,3-4,6-8,10-11H2,(H,20,23).
What are the key properties of 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]heptanyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46110061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).