3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide

C18H19N5O2 — CID 136563290

IUPAC3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide
SMILESCc1ccn2ncnc2c1NC(=O)N1CCC(c2ccc(O)cc2)C1
InChIInChI=1S/C18H19N5O2/c1-12-6-9-23-17(19-11-20-23)16(12)21-18(25)22-8-7-14(10-22)13-2-4-15(24)5-3-13/h2-6,9,11,14,24H,7-8,10H2,1H3,(H,21,25)
InChIKeyPPQBJHQYRJYZQU-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.76
Rot. Bonds2

About 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide

3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide (PubChem CID 136563290) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide
PubChem CID136563290
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide
SMILESCc1ccn2ncnc2c1NC(=O)N1CCC(c2ccc(O)cc2)C1
InChIInChI=1S/C18H19N5O2/c1-12-6-9-23-17(19-11-20-23)16(12)21-18(25)22-8-7-14(10-22)13-2-4-15(24)5-3-13/h2-6,9,11,14,24H,7-8,10H2,1H3,(H,21,25)
InChIKeyPPQBJHQYRJYZQU-UHFFFAOYSA-N
XLogP2.76
TPSA82.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide?
The IUPAC name of 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide (CID 136563290) is 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide is Cc1ccn2ncnc2c1NC(=O)N1CCC(c2ccc(O)cc2)C1.
What is the InChIKey of 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide?
The InChIKey is PPQBJHQYRJYZQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-6-9-23-17(19-11-20-23)16(12)21-18(25)22-8-7-14(10-22)13-2-4-15(24)5-3-13/h2-6,9,11,14,24H,7-8,10H2,1H3,(H,21,25).
What are the key properties of 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide?
3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxyphenyl)-N-(7-methyl-[1,2,4]triazolo[1,5-a]pyridin-8-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 136563290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).