1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

C21H19N5O4 — CID 46554253

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C21H19N5O4/c27-20-10-14(13-25(20)16-3-4-17-18(11-16)30-9-8-29-17)21(28)24-15-2-5-19(22-12-15)26-7-1-6-23-26/h1-7,11-12,14H,8-10,13H2,(H,24,28)
InChIKeyMNFIYWYNMLGMDS-UHFFFAOYSA-N
MW405.41 g/mol
LogP2.03
Rot. Bonds4

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (PubChem CID 46554253) has the molecular formula C21H19N5O4 and a molecular weight of 405.41 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
PubChem CID46554253
Molecular FormulaC21H19N5O4
Molecular Weight405.41 g/mol
Exact Mass405.14
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide
SMILESO=C(Nc1ccc(-n2cccn2)nc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1
InChIInChI=1S/C21H19N5O4/c27-20-10-14(13-25(20)16-3-4-17-18(11-16)30-9-8-29-17)21(28)24-15-2-5-19(22-12-15)26-7-1-6-23-26/h1-7,11-12,14H,8-10,13H2,(H,24,28)
InChIKeyMNFIYWYNMLGMDS-UHFFFAOYSA-N
XLogP2.03
TPSA98.58 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyridin-3-ylpyrrolidine-3-carboxamide
CID 2526301
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[6-(dimethylamino)-3-pyridinyl]-5-oxopyrrolidine-3-carboxamide
CID 17489800
(3R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 29367653
1-[5-[[1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carbonyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700993
(3R)-N-(1,3-benzodioxol-5-yl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 2458926
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-fluorophenyl)-5-oxopyrrolidine-3-carboxamide
CID 6484644
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(1,2-thiazol-4-yl)pyrrolidine-3-carboxamide
CID 154765760
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3-hydroxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42655484
(3R)-N-(4-carbamoylphenyl)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidine-3-carboxamide
CID 7926395
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(3,5-dimethylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 42909279
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 18106758
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-[4-(trifluoromethyl)phenyl]pyrrolidine-3-carboxamide
CID 3334662

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide (CID 46554253) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is O=C(Nc1ccc(-n2cccn2)nc1)C1CC(=O)N(c2ccc3c(c2)OCCO3)C1.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
The InChIKey is MNFIYWYNMLGMDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O4/c27-20-10-14(13-25(20)16-3-4-17-18(11-16)30-9-8-29-17)21(28)24-15-2-5-19(22-12-15)26-7-1-6-23-26/h1-7,11-12,14H,8-10,13H2,(H,24,28).
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide has a molecular weight of 405.41 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxo-N-(6-pyrazol-1-yl-3-pyridinyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 46554253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).