N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

C15H18N4O — CID 5309715

IUPACN-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCc1cccnc1
InChIInChI=1S/C15H18N4O/c20-15(17-9-12-4-3-7-16-8-12)11-19-10-13-5-1-2-6-14(13)18-19/h3-4,7-8,10H,1-2,5-6,9,11H2,(H,17,20)
InChIKeyCRKVKIVOHXCSJS-UHFFFAOYSA-N
MW270.34 g/mol
LogP1.47
Rot. Bonds4

About N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide

N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (PubChem CID 5309715) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.

Molecular Properties

Compound NameN-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
PubChem CID5309715
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide
SMILESO=C(Cn1cc2c(n1)CCCC2)NCc1cccnc1
InChIInChI=1S/C15H18N4O/c20-15(17-9-12-4-3-7-16-8-12)11-19-10-13-5-1-2-6-14(13)18-19/h3-4,7-8,10H,1-2,5-6,9,11H2,(H,17,20)
InChIKeyCRKVKIVOHXCSJS-UHFFFAOYSA-N
XLogP1.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The IUPAC name of N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide (CID 5309715) is N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide.
What is the SMILES notation for N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The canonical SMILES for N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is O=C(Cn1cc2c(n1)CCCC2)NCc1cccnc1.
What is the InChIKey of N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
The InChIKey is CRKVKIVOHXCSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c20-15(17-9-12-4-3-7-16-8-12)11-19-10-13-5-1-2-6-14(13)18-19/h3-4,7-8,10H,1-2,5-6,9,11H2,(H,17,20).
What are the key properties of N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide?
N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide has a molecular weight of 270.34 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-3-ylmethyl)-2-(4,5,6,7-tetrahydroindazol-2-yl)acetamide is sourced from PubChem (CID 5309715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).