N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide

C25H30N4O2 — CID 172666690

IUPACN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)NC1CCCc2c1c(C)nn2C
InChIInChI=1S/C25H30N4O2/c1-15(2)18-8-6-9-19(14-18)29-13-12-16(3)22(25(29)31)24(30)26-20-10-7-11-21-23(20)17(4)27-28(21)5/h6,8-9,12-15,20H,7,10-11H2,1-5H3,(H,26,30)
InChIKeyQTVDHEOFOVGGND-UHFFFAOYSA-N
MW418.54 g/mol
LogP4.12
Rot. Bonds4

About N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide

N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide (PubChem CID 172666690) has the molecular formula C25H30N4O2 and a molecular weight of 418.54 g/mol. Its IUPAC name is N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide
PubChem CID172666690
Molecular FormulaC25H30N4O2
Molecular Weight418.54 g/mol
Exact Mass418.24
IUPAC NameN-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide
SMILESCc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)NC1CCCc2c1c(C)nn2C
InChIInChI=1S/C25H30N4O2/c1-15(2)18-8-6-9-19(14-18)29-13-12-16(3)22(25(29)31)24(30)26-20-10-7-11-21-23(20)17(4)27-28(21)5/h6,8-9,12-15,20H,7,10-11H2,1-5H3,(H,26,30)
InChIKeyQTVDHEOFOVGGND-UHFFFAOYSA-N
XLogP4.12
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.54
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The IUPAC name of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide (CID 172666690) is N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide is Cc1ccn(-c2cccc(C(C)C)c2)c(=O)c1C(=O)NC1CCCc2c1c(C)nn2C.
What is the InChIKey of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
The InChIKey is QTVDHEOFOVGGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2/c1-15(2)18-8-6-9-19(14-18)29-13-12-16(3)22(25(29)31)24(30)26-20-10-7-11-21-23(20)17(4)27-28(21)5/h6,8-9,12-15,20H,7,10-11H2,1-5H3,(H,26,30).
What are the key properties of N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide?
N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide has a molecular weight of 418.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dimethyl-4,5,6,7-tetrahydroindazol-4-yl)-4-methyl-2-oxo-1-(3-propan-2-ylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 172666690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).