1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide

C20H20N6O3 — CID 47089712

IUPAC1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ncn(Cc4ccccn4)n3)CC2=O)c1
InChIInChI=1S/C20H20N6O3/c1-29-17-7-4-6-16(10-17)26-11-14(9-18(26)27)19(28)23-20-22-13-25(24-20)12-15-5-2-3-8-21-15/h2-8,10,13-14H,9,11-12H2,1H3,(H,23,24,28)
InChIKeyFMDYAUHSPKSACS-UHFFFAOYSA-N
MW392.42 g/mol
LogP1.72
Rot. Bonds6

About 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide

1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide (PubChem CID 47089712) has the molecular formula C20H20N6O3 and a molecular weight of 392.42 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
PubChem CID47089712
Molecular FormulaC20H20N6O3
Molecular Weight392.42 g/mol
Exact Mass392.16
IUPAC Name1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide
SMILESCOc1cccc(N2CC(C(=O)Nc3ncn(Cc4ccccn4)n3)CC2=O)c1
InChIInChI=1S/C20H20N6O3/c1-29-17-7-4-6-16(10-17)26-11-14(9-18(26)27)19(28)23-20-22-13-25(24-20)12-15-5-2-3-8-21-15/h2-8,10,13-14H,9,11-12H2,1H3,(H,23,24,28)
InChIKeyFMDYAUHSPKSACS-UHFFFAOYSA-N
XLogP1.72
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.42
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-1-(3-methoxyphenyl)-N-naphthalen-1-yl-5-oxopyrrolidine-3-carboxamide
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CID 90569595
N-[4-(diethylamino)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
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(3R)-1-(3-methoxyphenyl)-N-(5-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 25332343
1-(3-methoxyphenyl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-5-oxopyrrolidine-3-carboxamide
CID 122317179
1-(3-chlorophenyl)-5-oxo-N-pyrimidin-2-ylpyrrolidine-3-carboxamide
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N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
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CID 42884782
N-[2-(3-methoxyphenyl)ethyl]-5-oxo-1-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
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N-[4-(benzimidazol-1-yl)phenyl]-1-(3-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 55556169
(3S)-1-(3-methoxyphenyl)-N-(5-methyl-1,2-oxazol-3-yl)-5-oxopyrrolidine-3-carboxamide
CID 7371797
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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide (CID 47089712) is 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide is COc1cccc(N2CC(C(=O)Nc3ncn(Cc4ccccn4)n3)CC2=O)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide?
The InChIKey is FMDYAUHSPKSACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O3/c1-29-17-7-4-6-16(10-17)26-11-14(9-18(26)27)19(28)23-20-22-13-25(24-20)12-15-5-2-3-8-21-15/h2-8,10,13-14H,9,11-12H2,1H3,(H,23,24,28).
What are the key properties of 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide?
1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide has a molecular weight of 392.42 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-oxo-N-[1-(pyridin-2-ylmethyl)-1,2,4-triazol-3-yl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 47089712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).