2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide

C22H23N7O — CID 142412297

IUPAC2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
SMILESCC(CCNC(=O)c1cc(-c2ccn3nc(N)nc3c2)cnc1N)c1ccccc1
InChIInChI=1S/C22H23N7O/c1-14(15-5-3-2-4-6-15)7-9-25-21(30)18-11-17(13-26-20(18)23)16-8-10-29-19(12-16)27-22(24)28-29/h2-6,8,10-14H,7,9H2,1H3,(H2,23,26)(H2,24,28)(H,25,30)
InChIKeyIMBDHJOFVJFYOT-UHFFFAOYSA-N
MW401.47 g/mol
LogP2.88
Rot. Bonds6

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

2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide (PubChem CID 142412297) has the molecular formula C22H23N7O and a molecular weight of 401.47 g/mol. Its IUPAC name is 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
PubChem CID142412297
Molecular FormulaC22H23N7O
Molecular Weight401.47 g/mol
Exact Mass401.20
IUPAC Name2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide
SMILESCC(CCNC(=O)c1cc(-c2ccn3nc(N)nc3c2)cnc1N)c1ccccc1
InChIInChI=1S/C22H23N7O/c1-14(15-5-3-2-4-6-15)7-9-25-21(30)18-11-17(13-26-20(18)23)16-8-10-29-19(12-16)27-22(24)28-29/h2-6,8,10-14H,7,9H2,1H3,(H2,23,26)(H2,24,28)(H,25,30)
InChIKeyIMBDHJOFVJFYOT-UHFFFAOYSA-N
XLogP2.88
TPSA124.22 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 52.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide (CID 142412297) is 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide is CC(CCNC(=O)c1cc(-c2ccn3nc(N)nc3c2)cnc1N)c1ccccc1.
What is the InChIKey of 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide?
The InChIKey is IMBDHJOFVJFYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O/c1-14(15-5-3-2-4-6-15)7-9-25-21(30)18-11-17(13-26-20(18)23)16-8-10-29-19(12-16)27-22(24)28-29/h2-6,8,10-14H,7,9H2,1H3,(H2,23,26)(H2,24,28)(H,25,30).
What are the key properties of 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide?
2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide has a molecular weight of 401.47 g/mol, XLogP of 2.88, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-N-(3-phenylbutyl)pyridine-3-carboxamide is sourced from PubChem (CID 142412297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).