N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide

C22H24N4O2 — CID 24819381

IUPACN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC1CCCc2c1cnn2-c1cc(C)cc(C)c1
InChIInChI=1S/C22H24N4O2/c1-14-10-15(2)12-16(11-14)26-20-8-4-7-19(18(20)13-24-26)25-21(27)17-6-5-9-23-22(17)28-3/h5-6,9-13,19H,4,7-8H2,1-3H3,(H,25,27)
InChIKeyYAXOSFAGNHAGJW-UHFFFAOYSA-N
MW376.46 g/mol
LogP3.70
Rot. Bonds4

About N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide (PubChem CID 24819381) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide
PubChem CID24819381
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC NameN-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)NC1CCCc2c1cnn2-c1cc(C)cc(C)c1
InChIInChI=1S/C22H24N4O2/c1-14-10-15(2)12-16(11-14)26-20-8-4-7-19(18(20)13-24-26)25-21(27)17-6-5-9-23-22(17)28-3/h5-6,9-13,19H,4,7-8H2,1-3H3,(H,25,27)
InChIKeyYAXOSFAGNHAGJW-UHFFFAOYSA-N
XLogP3.70
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide?
The IUPAC name of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide (CID 24819381) is N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide.
What is the SMILES notation for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide?
The canonical SMILES for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide is COc1ncccc1C(=O)NC1CCCc2c1cnn2-c1cc(C)cc(C)c1.
What is the InChIKey of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide?
The InChIKey is YAXOSFAGNHAGJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-14-10-15(2)12-16(11-14)26-20-8-4-7-19(18(20)13-24-26)25-21(27)17-6-5-9-23-22(17)28-3/h5-6,9-13,19H,4,7-8H2,1-3H3,(H,25,27).
What are the key properties of N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide?
N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]-2-methoxypyridine-3-carboxamide is sourced from PubChem (CID 24819381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).