3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

C20H25N5O3 — CID 162629903

IUPAC3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1ccc2nnc(C(O)C(C)C)n2c1
InChIInChI=1S/C20H25N5O3/c1-11(2)17(26)18-24-23-16-7-6-14(10-25(16)18)19(27)21-9-15-12(3)8-13(4)22-20(15)28-5/h6-8,10-11,17,26H,9H2,1-5H3,(H,21,27)
InChIKeyDXZPBDJZAKTGCH-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.37
Rot. Bonds6

About 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide

3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (PubChem CID 162629903) has the molecular formula C20H25N5O3 and a molecular weight of 383.45 g/mol. Its IUPAC name is 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
PubChem CID162629903
Molecular FormulaC20H25N5O3
Molecular Weight383.45 g/mol
Exact Mass383.20
IUPAC Name3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
SMILESCOc1nc(C)cc(C)c1CNC(=O)c1ccc2nnc(C(O)C(C)C)n2c1
InChIInChI=1S/C20H25N5O3/c1-11(2)17(26)18-24-23-16-7-6-14(10-25(16)18)19(27)21-9-15-12(3)8-13(4)22-20(15)28-5/h6-8,10-11,17,26H,9H2,1-5H3,(H,21,27)
InChIKeyDXZPBDJZAKTGCH-UHFFFAOYSA-N
XLogP2.37
TPSA101.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(1-hydroxy-2-methylpropyl)-N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156583876
N-(1,3-benzodioxol-5-ylmethyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156585763
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 156584726
N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-5-methyl-1,3,4-oxadiazole-2-carboxamide
CID 146144337
3-(1-hydroxy-2-methylpropyl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162636405
(2S)-2-(dimethylamino)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-3-methylbutanamide
CID 136580567
2-(2-hydroxyethyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]pyrazole-3-carboxamide
CID 91776501
N-(1-carbamoylcyclopentyl)-3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 162628528
3-(1-hydroxy-2-methylpropyl)-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 157014275
[3-(1-hydroxy-2-methylpropyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone
CID 156585343
N-[[2-(4-methoxyphenyl)-4,6-dimethyl-3-pyridinyl]methyl]benzamide
CID 53148143
methyl 3-(3-methylbutan-2-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylate
CID 115384703

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The IUPAC name of 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide (CID 162629903) is 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide.
What is the SMILES notation for 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The canonical SMILES for 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is COc1nc(C)cc(C)c1CNC(=O)c1ccc2nnc(C(O)C(C)C)n2c1.
What is the InChIKey of 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
The InChIKey is DXZPBDJZAKTGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O3/c1-11(2)17(26)18-24-23-16-7-6-14(10-25(16)18)19(27)21-9-15-12(3)8-13(4)22-20(15)28-5/h6-8,10-11,17,26H,9H2,1-5H3,(H,21,27).
What are the key properties of 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide?
3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 2.37, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxy-2-methylpropyl)-N-[(2-methoxy-4,6-dimethyl-3-pyridinyl)methyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide is sourced from PubChem (CID 162629903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).