N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide

C25H26N6O2 — CID 166328142

IUPACN-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1c(C(=O)N2CCCCC2CCNC(=O)c2cnc3n[nH]nc3c2)ccc2ccccc12
InChIInChI=1S/C25H26N6O2/c1-16-20-8-3-2-6-17(20)9-10-21(16)25(33)31-13-5-4-7-19(31)11-12-26-24(32)18-14-22-23(27-15-18)29-30-28-22/h2-3,6,8-10,14-15,19H,4-5,7,11-13H2,1H3,(H,26,32)(H,27,28,29,30)
InChIKeyOWFFUXVAIAVXIZ-UHFFFAOYSA-N
MW442.52 g/mol
LogP3.63
Rot. Bonds5

About N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide

N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide (PubChem CID 166328142) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound NameN-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
PubChem CID166328142
Molecular FormulaC25H26N6O2
Molecular Weight442.52 g/mol
Exact Mass442.21
IUPAC NameN-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide
SMILESCc1c(C(=O)N2CCCCC2CCNC(=O)c2cnc3n[nH]nc3c2)ccc2ccccc12
InChIInChI=1S/C25H26N6O2/c1-16-20-8-3-2-6-17(20)9-10-21(16)25(33)31-13-5-4-7-19(31)11-12-26-24(32)18-14-22-23(27-15-18)29-30-28-22/h2-3,6,8-10,14-15,19H,4-5,7,11-13H2,1H3,(H,26,32)(H,27,28,29,30)
InChIKeyOWFFUXVAIAVXIZ-UHFFFAOYSA-N
XLogP3.63
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.52
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide (CID 166328142) is N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide is Cc1c(C(=O)N2CCCCC2CCNC(=O)c2cnc3n[nH]nc3c2)ccc2ccccc12.
What is the InChIKey of N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide?
The InChIKey is OWFFUXVAIAVXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-16-20-8-3-2-6-17(20)9-10-21(16)25(33)31-13-5-4-7-19(31)11-12-26-24(32)18-14-22-23(27-15-18)29-30-28-22/h2-3,6,8-10,14-15,19H,4-5,7,11-13H2,1H3,(H,26,32)(H,27,28,29,30).
What are the key properties of N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide?
N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide has a molecular weight of 442.52 g/mol, XLogP of 3.63, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-(1-methylnaphthalene-2-carbonyl)piperidin-2-yl]ethyl]-2H-triazolo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 166328142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).