4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

C21H22N4O — CID 129104686

IUPAC4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2C)c1
InChIInChI=1S/C21H22N4O/c1-14-10-11-22-18(12-14)21(26)24-17-7-5-9-20-16(17)13-23-25(20)19-8-4-3-6-15(19)2/h3-4,6,8,10-13,17H,5,7,9H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyMCXYMWBMIJVYML-QGZVFWFLSA-N
MW346.43 g/mol
LogP3.69
Rot. Bonds3

About 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide

4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (PubChem CID 129104686) has the molecular formula C21H22N4O and a molecular weight of 346.43 g/mol. Its IUPAC name is 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
PubChem CID129104686
Molecular FormulaC21H22N4O
Molecular Weight346.43 g/mol
Exact Mass346.18
IUPAC Name4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide
SMILESCc1ccnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2C)c1
InChIInChI=1S/C21H22N4O/c1-14-10-11-22-18(12-14)21(26)24-17-7-5-9-20-16(17)13-23-25(20)19-8-4-3-6-15(19)2/h3-4,6,8,10-13,17H,5,7,9H2,1-2H3,(H,24,26)/t17-/m1/s1
InChIKeyMCXYMWBMIJVYML-QGZVFWFLSA-N
XLogP3.69
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The IUPAC name of 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide (CID 129104686) is 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is Cc1ccnc(C(=O)N[C@@H]2CCCc3c2cnn3-c2ccccc2C)c1.
What is the InChIKey of 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
The InChIKey is MCXYMWBMIJVYML-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H22N4O/c1-14-10-11-22-18(12-14)21(26)24-17-7-5-9-20-16(17)13-23-25(20)19-8-4-3-6-15(19)2/h3-4,6,8,10-13,17H,5,7,9H2,1-2H3,(H,24,26)/t17-/m1/s1.
What are the key properties of 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide?
4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(4R)-1-(2-methylphenyl)-4,5,6,7-tetrahydroindazol-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 129104686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).