5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide

C22H22N6O2 — CID 166595990

IUPAC5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C22H22N6O2/c1-14-19(21(30)25-13-18(29)9-15-5-3-2-4-6-15)10-17(12-24-14)16-7-8-28-20(11-16)26-22(23)27-28/h2-8,10-12,18,29H,9,13H2,1H3,(H2,23,27)(H,25,30)
InChIKeyLMJOMRYRQJWXNS-UHFFFAOYSA-N
MW402.46 g/mol
LogP2.02
Rot. Bonds6

About 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide

5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide (PubChem CID 166595990) has the molecular formula C22H22N6O2 and a molecular weight of 402.46 g/mol. Its IUPAC name is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide
PubChem CID166595990
Molecular FormulaC22H22N6O2
Molecular Weight402.46 g/mol
Exact Mass402.18
IUPAC Name5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide
SMILESCc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(O)Cc1ccccc1
InChIInChI=1S/C22H22N6O2/c1-14-19(21(30)25-13-18(29)9-15-5-3-2-4-6-15)10-17(12-24-14)16-7-8-28-20(11-16)26-22(23)27-28/h2-8,10-12,18,29H,9,13H2,1H3,(H2,23,27)(H,25,30)
InChIKeyLMJOMRYRQJWXNS-UHFFFAOYSA-N
XLogP2.02
TPSA118.43 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.46
LogP ≤ 52.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide (CID 166595990) is 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide is Cc1ncc(-c2ccn3nc(N)nc3c2)cc1C(=O)NCC(O)Cc1ccccc1.
What is the InChIKey of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide?
The InChIKey is LMJOMRYRQJWXNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O2/c1-14-19(21(30)25-13-18(29)9-15-5-3-2-4-6-15)10-17(12-24-14)16-7-8-28-20(11-16)26-22(23)27-28/h2-8,10-12,18,29H,9,13H2,1H3,(H2,23,27)(H,25,30).
What are the key properties of 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide?
5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide has a molecular weight of 402.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(2-hydroxy-3-phenylpropyl)-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 166595990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).