N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide

C25H28N4O2 — CID 139254204

IUPACN-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccc(-n3nc(C)c4c3CC(C)(C)CC4=O)nc2)cc1
InChIInChI=1S/C25H28N4O2/c1-16-5-7-18(8-6-16)11-12-26-24(31)19-9-10-22(27-15-19)29-20-13-25(3,4)14-21(30)23(20)17(2)28-29/h5-10,15H,11-14H2,1-4H3,(H,26,31)
InChIKeyAGJWQAZJMQWQIO-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.01
Rot. Bonds5

About N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide

N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide (PubChem CID 139254204) has the molecular formula C25H28N4O2 and a molecular weight of 416.53 g/mol. Its IUPAC name is N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide
PubChem CID139254204
Molecular FormulaC25H28N4O2
Molecular Weight416.53 g/mol
Exact Mass416.22
IUPAC NameN-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide
SMILESCc1ccc(CCNC(=O)c2ccc(-n3nc(C)c4c3CC(C)(C)CC4=O)nc2)cc1
InChIInChI=1S/C25H28N4O2/c1-16-5-7-18(8-6-16)11-12-26-24(31)19-9-10-22(27-15-19)29-20-13-25(3,4)14-21(30)23(20)17(2)28-29/h5-10,15H,11-14H2,1-4H3,(H,26,31)
InChIKeyAGJWQAZJMQWQIO-UHFFFAOYSA-N
XLogP4.01
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-propylpyridine-3-carboxamide
CID 139254192
6-[6,6-dimethyl-4-oxo-3-[4-(trifluoromethyl)phenyl]-5,7-dihydroindazol-1-yl]-N-[(4-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 139254189
N-[2-(4-hydroxypiperidin-1-yl)ethyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 25094115
N-[3-(2-oxopyrrolidin-1-yl)propyl]-4-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 46364431
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
6-[6,6-dimethyl-3-(2-methylpropyl)-4-oxo-5,7-dihydroindazol-1-yl]-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 139213045
4-[2-[[6-(azepan-1-yl)pyridine-3-carbonyl]amino]ethyl]benzoic acid
CID 119136838
N-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)benzamide
CID 154070026
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]pyridine-3-carboxamide
CID 94526475
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158294

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide (CID 139254204) is N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide is Cc1ccc(CCNC(=O)c2ccc(-n3nc(C)c4c3CC(C)(C)CC4=O)nc2)cc1.
What is the InChIKey of N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide?
The InChIKey is AGJWQAZJMQWQIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O2/c1-16-5-7-18(8-6-16)11-12-26-24(31)19-9-10-22(27-15-19)29-20-13-25(3,4)14-21(30)23(20)17(2)28-29/h5-10,15H,11-14H2,1-4H3,(H,26,31).
What are the key properties of N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide?
N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide has a molecular weight of 416.53 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylphenyl)ethyl]-6-(3,6,6-trimethyl-4-oxo-5,7-dihydroindazol-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 139254204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).