1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide

C21H23N5O3 — CID 126785198

IUPAC1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
SMILESCC(C)c1nnc2ccc(NC(=O)C3CCCN3C(=O)c3ccccc3O)cn12
InChIInChI=1S/C21H23N5O3/c1-13(2)19-24-23-18-10-9-14(12-26(18)19)22-20(28)16-7-5-11-25(16)21(29)15-6-3-4-8-17(15)27/h3-4,6,8-10,12-13,16,27H,5,7,11H2,1-2H3,(H,22,28)
InChIKeyZDISCIOUKIYFSJ-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.80
Rot. Bonds4

About 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide

1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide (PubChem CID 126785198) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
PubChem CID126785198
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
SMILESCC(C)c1nnc2ccc(NC(=O)C3CCCN3C(=O)c3ccccc3O)cn12
InChIInChI=1S/C21H23N5O3/c1-13(2)19-24-23-18-10-9-14(12-26(18)19)22-20(28)16-7-5-11-25(16)21(29)15-6-3-4-8-17(15)27/h3-4,6,8-10,12-13,16,27H,5,7,11H2,1-2H3,(H,22,28)
InChIKeyZDISCIOUKIYFSJ-UHFFFAOYSA-N
XLogP2.80
TPSA99.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2-hydroxybenzoyl)-N-([1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide
CID 126786111
N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)oxane-3-carboxamide
CID 154741097
(3S)-4-(2,2-difluoroethyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)morpholine-3-carboxamide
CID 99827106
(2S)-N-[(2S)-1-(tert-butylamino)-1-oxopropan-2-yl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 95303706
(2S)-1-(2-fluorobenzoyl)-N-(4-methylphenyl)pyrrolidine-2-carboxamide
CID 92668196
N-[3-(2-amino-2-oxoethoxy)phenyl]-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 154745583
(2S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94162909
(2R)-1-(2-hydroxybenzoyl)-N-[3-(2-oxo-1,3-oxazolidin-3-yl)phenyl]pyrrolidine-2-carboxamide
CID 94441390
N-(4-chlorophenyl)-1-(2-fluorobenzoyl)pyrrolidine-2-carboxamide
CID 46748924
(2S)-N-(cyclobutylmethyl)-1-(2-hydroxybenzoyl)pyrrolidine-2-carboxamide
CID 94447730
1-(2-methylpropanoyl)-N-(4-phenyldiazenylphenyl)pyrrolidine-2-carboxamide
CID 60527303
(2R)-1-(2-ethylbenzoyl)-N-[4-[2-[4-[[(2S)-1-(2-ethylbenzoyl)pyrrolidine-2-carbonyl]amino]phenyl]ethenyl]phenyl]pyrrolidine-2-carboxamide
CID 91187579

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide (CID 126785198) is 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide is CC(C)c1nnc2ccc(NC(=O)C3CCCN3C(=O)c3ccccc3O)cn12.
What is the InChIKey of 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
The InChIKey is ZDISCIOUKIYFSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-13(2)19-24-23-18-10-9-14(12-26(18)19)22-20(28)16-7-5-11-25(16)21(29)15-6-3-4-8-17(15)27/h3-4,6,8-10,12-13,16,27H,5,7,11H2,1-2H3,(H,22,28).
What are the key properties of 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide?
1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxybenzoyl)-N-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 126785198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).