N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

C18H20N6O2 — CID 70745903

IUPACN,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(Cc1nc(-c2cccnc2)no1)C(=O)c1c2c(nn1C)CCCC2
InChIInChI=1S/C18H20N6O2/c1-23(11-15-20-17(22-26-15)12-6-5-9-19-10-12)18(25)16-13-7-3-4-8-14(13)21-24(16)2/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyIJBCQBMOHDRMKJ-UHFFFAOYSA-N
MW352.40 g/mol
LogP2.02
Rot. Bonds4

About N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide

N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (PubChem CID 70745903) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
PubChem CID70745903
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC NameN,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide
SMILESCN(Cc1nc(-c2cccnc2)no1)C(=O)c1c2c(nn1C)CCCC2
InChIInChI=1S/C18H20N6O2/c1-23(11-15-20-17(22-26-15)12-6-5-9-19-10-12)18(25)16-13-7-3-4-8-14(13)21-24(16)2/h5-6,9-10H,3-4,7-8,11H2,1-2H3
InChIKeyIJBCQBMOHDRMKJ-UHFFFAOYSA-N
XLogP2.02
TPSA89.94 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The IUPAC name of N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide (CID 70745903) is N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide.
What is the SMILES notation for N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The canonical SMILES for N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is CN(Cc1nc(-c2cccnc2)no1)C(=O)c1c2c(nn1C)CCCC2.
What is the InChIKey of N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
The InChIKey is IJBCQBMOHDRMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23(11-15-20-17(22-26-15)12-6-5-9-19-10-12)18(25)16-13-7-3-4-8-14(13)21-24(16)2/h5-6,9-10H,3-4,7-8,11H2,1-2H3.
What are the key properties of N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide?
N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide has a molecular weight of 352.40 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]-4,5,6,7-tetrahydroindazole-3-carboxamide is sourced from PubChem (CID 70745903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).