N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide

C24H30N4O2 — CID 130298813

IUPACN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)(C)C)n2)cc1
InChIInChI=1S/C24H30N4O2/c1-23(2,3)27-22(29)17-14-19(16-8-10-18(30-7)11-9-16)26-20(15-17)21-12-13-25-28(21)24(4,5)6/h8-15H,1-7H3,(H,27,29)
InChIKeyYHOHCXXQVIVJOU-UHFFFAOYSA-N
MW406.53 g/mol
LogP4.90
Rot. Bonds4

About N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide

N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide (PubChem CID 130298813) has the molecular formula C24H30N4O2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
PubChem CID130298813
Molecular FormulaC24H30N4O2
Molecular Weight406.53 g/mol
Exact Mass406.24
IUPAC NameN-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)(C)C)n2)cc1
InChIInChI=1S/C24H30N4O2/c1-23(2,3)27-22(29)17-14-19(16-8-10-18(30-7)11-9-16)26-20(15-17)21-12-13-25-28(21)24(4,5)6/h8-15H,1-7H3,(H,27,29)
InChIKeyYHOHCXXQVIVJOU-UHFFFAOYSA-N
XLogP4.90
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-chloro-3-fluorophenyl)pyridine-4-carboxamide;N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide
CID 159712176
N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide
CID 130298809
N-tert-butyl-2-(4-cyclopropylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
CID 130298799
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
N-tert-butyl-2-(4-chlorophenyl)-5-(4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-7-carboxamide
CID 46080284
N-tert-butyl-2-(4-cyanophenyl)-6-(1-propan-2-ylazaphosphol-5-yl)pyridine-4-carboxamide
CID 146259210
4-N-tert-butyl-1-N-(4-methoxyphenyl)benzene-1,4-dicarboxamide
CID 48845743
N-tert-butyl-3-(4-methoxyphenyl)-1-(3-methylphenyl)pyrazole-5-carboxamide
CID 42758673
methyl 2-chloro-6-(4-methoxyphenyl)pyridine-4-carboxylate
CID 91873021
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
1-[2-(4-methoxyphenyl)-4-pyridinyl]ethanone
CID 141329056
4-(2-amino-1,3-thiazol-4-yl)-N-tert-butylbenzamide
CID 87581411

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide (CID 130298813) is N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide is COc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)(C)C)n2)cc1.
What is the InChIKey of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide?
The InChIKey is YHOHCXXQVIVJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2/c1-23(2,3)27-22(29)17-14-19(16-8-10-18(30-7)11-9-16)26-20(15-17)21-12-13-25-28(21)24(4,5)6/h8-15H,1-7H3,(H,27,29).
What are the key properties of N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide?
N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide has a molecular weight of 406.53 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(2-tert-butylpyrazol-3-yl)-6-(4-methoxyphenyl)pyridine-4-carboxamide is sourced from PubChem (CID 130298813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).