6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide

C21H24N6O2 — CID 171631360

IUPAC6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CC2)c1ccc(N2N=C3C=CC=CC3N2)nc1
InChIInChI=1S/C21H24N6O2/c28-19(26-11-9-21(7-8-21)10-12-26)14-23-20(29)15-5-6-18(22-13-15)27-24-16-3-1-2-4-17(16)25-27/h1-6,13,16,24H,7-12,14H2,(H,23,29)
InChIKeyWEQPIKHAGZGCOU-UHFFFAOYSA-N
MW392.46 g/mol
LogP1.39
Rot. Bonds4

About 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide

6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 171631360) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide
PubChem CID171631360
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC Name6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide
SMILESO=C(NCC(=O)N1CCC2(CC1)CC2)c1ccc(N2N=C3C=CC=CC3N2)nc1
InChIInChI=1S/C21H24N6O2/c28-19(26-11-9-21(7-8-21)10-12-26)14-23-20(29)15-5-6-18(22-13-15)27-24-16-3-1-2-4-17(16)25-27/h1-6,13,16,24H,7-12,14H2,(H,23,29)
InChIKeyWEQPIKHAGZGCOU-UHFFFAOYSA-N
XLogP1.39
TPSA89.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide (CID 171631360) is 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide is O=C(NCC(=O)N1CCC2(CC1)CC2)c1ccc(N2N=C3C=CC=CC3N2)nc1.
What is the InChIKey of 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is WEQPIKHAGZGCOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c28-19(26-11-9-21(7-8-21)10-12-26)14-23-20(29)15-5-6-18(22-13-15)27-24-16-3-1-2-4-17(16)25-27/h1-6,13,16,24H,7-12,14H2,(H,23,29).
What are the key properties of 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide?
6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,7a-dihydrobenzotriazol-2-yl)-N-[2-(6-azaspiro[2.5]octan-6-yl)-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 171631360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).