N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide

C23H26N4O3 — CID 148829808

IUPACN-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide
SMILESCC(=O)Cc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1=O
InChIInChI=1S/C23H26N4O3/c1-14(28)12-19-15(2)26-27(22(19)30)20-11-6-16(13-24-20)21(29)25-18-9-7-17(8-10-18)23(3,4)5/h6-11,13,26H,12H2,1-5H3,(H,25,29)
InChIKeyOTLJOEOZKVCPAA-UHFFFAOYSA-N
MW406.49 g/mol
LogP3.55
Rot. Bonds5

About N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide

N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide (PubChem CID 148829808) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide
PubChem CID148829808
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC NameN-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide
SMILESCC(=O)Cc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1=O
InChIInChI=1S/C23H26N4O3/c1-14(28)12-19-15(2)26-27(22(19)30)20-11-6-16(13-24-20)21(29)25-18-9-7-17(8-10-18)23(3,4)5/h6-11,13,26H,12H2,1-5H3,(H,25,29)
InChIKeyOTLJOEOZKVCPAA-UHFFFAOYSA-N
XLogP3.55
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 53.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-tert-butylphenyl)pyridine-3-carboxamide
CID 71766017
6-(4-acetamido-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(4-bromophenyl)pyridine-3-carboxamide
CID 71766016
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
4-fluoro-N-[6-(5-methyl-3-oxo-1H-pyrazol-2-yl)-3-pyridinyl]benzamide
CID 59407031
2-[5-[1-(4-tert-butylphenyl)ethenylamino]-2-pyridinyl]-5-methyl-1H-pyrazol-3-one
CID 89378119
N-(4-tert-butylphenyl)-6-phenylpyridine-3-carboxamide
CID 11450343
4-tert-butyl-N-(4-carbamoylphenyl)benzamide
CID 3252757
N-(4-tert-butylphenyl)-6-(pentylamino)pyridine-3-carboxamide
CID 109161313
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
N,N'-bis[4-[(4-tert-butylbenzoyl)amino]phenyl]butanediamide
CID 17235325
methyl 4-[4-[5-[(4-tert-butylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate
CID 59318026
6-[(4-methylphenyl)methylamino]-N-[4-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109156003

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide (CID 148829808) is N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide is CC(=O)Cc1c(C)[nH]n(-c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)c1=O.
What is the InChIKey of N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide?
The InChIKey is OTLJOEOZKVCPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-14(28)12-19-15(2)26-27(22(19)30)20-11-6-16(13-24-20)21(29)25-18-9-7-17(8-10-18)23(3,4)5/h6-11,13,26H,12H2,1-5H3,(H,25,29).
What are the key properties of N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide has a molecular weight of 406.49 g/mol, XLogP of 3.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-[5-methyl-3-oxo-4-(2-oxopropyl)-1H-pyrazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 148829808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).