1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

C15H19N3O2 — CID 42956719

IUPAC1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H19N3O2/c19-14-6-13(10-18(14)9-11-3-4-11)15(20)17-8-12-2-1-5-16-7-12/h1-2,5,7,11,13H,3-4,6,8-10H2,(H,17,20)
InChIKeyAUUDADDCYBWRGO-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.96
Rot. Bonds5

About 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide

1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (PubChem CID 42956719) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
PubChem CID42956719
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide
SMILESO=C(NCc1cccnc1)C1CC(=O)N(CC2CC2)C1
InChIInChI=1S/C15H19N3O2/c19-14-6-13(10-18(14)9-11-3-4-11)15(20)17-8-12-2-1-5-16-7-12/h1-2,5,7,11,13H,3-4,6,8-10H2,(H,17,20)
InChIKeyAUUDADDCYBWRGO-UHFFFAOYSA-N
XLogP0.96
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Norcotinine
CID 413
5-Oxo-1-((pyridin-3-yl)methyl)pyrrolidine-3-carboxylic acid
CID 652923
(2S)-2-amino-1-piperidin-1-yl-4-(pyridin-4-ylmethylamino)butan-1-one
CID 11346439
Demethylcotinine
CID 92223
1-[(4-methylphenyl)methyl]-5-oxo-N-pyridin-4-ylpyrrolidine-3-carboxamide
CID 24820064
N-(pyridin-4-ylmethyl)cyclohexanecarboxamide
CID 823684
1-cyclopentyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 3618799
N-[(3R)-1-[(5Z,8Z,11Z,14Z,17Z)-icosa-5,8,11,14,17-pentaenoyl]pyrrolidin-3-yl]pyridine-3-carboxamide
CID 118539378
N-[[6-(3-methylbutanoyl)-6-azaspiro[2.5]octan-2-yl]methyl]-1,3-dihydropyrrolo[3,4-c]pyridine-2-carboxamide
CID 118621295
2-ethyl-N-(pyridin-3-ylmethyl)butanamide
CID 823658
3-phenyl-N-(pyridin-3-ylmethyl)propanamide
CID 673359
4-(3-Pyridinyl)-2-pyrrolidinone
CID 49657890

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide (CID 42956719) is 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is O=C(NCc1cccnc1)C1CC(=O)N(CC2CC2)C1.
What is the InChIKey of 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
The InChIKey is AUUDADDCYBWRGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c19-14-6-13(10-18(14)9-11-3-4-11)15(20)17-8-12-2-1-5-16-7-12/h1-2,5,7,11,13H,3-4,6,8-10H2,(H,17,20).
What are the key properties of 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide?
1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-5-oxo-N-(pyridin-3-ylmethyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 42956719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).