N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide

C24H30N4O — CID 130344579

IUPACN-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)C)n2)cc1
InChIInChI=1S/C24H30N4O/c1-7-17-8-10-18(11-9-17)20-14-19(23(29)27-24(4,5)6)15-21(26-20)22-12-13-25-28(22)16(2)3/h8-16H,7H2,1-6H3,(H,27,29)
InChIKeyVUKBCZUPHBOVNG-UHFFFAOYSA-N
MW390.53 g/mol
LogP5.28
Rot. Bonds5

About N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide

N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 130344579) has the molecular formula C24H30N4O and a molecular weight of 390.53 g/mol. Its IUPAC name is N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID130344579
Molecular FormulaC24H30N4O
Molecular Weight390.53 g/mol
Exact Mass390.24
IUPAC NameN-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCCc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)C)n2)cc1
InChIInChI=1S/C24H30N4O/c1-7-17-8-10-18(11-9-17)20-14-19(23(29)27-24(4,5)6)15-21(26-20)22-12-13-25-28(22)16(2)3/h8-16H,7H2,1-6H3,(H,27,29)
InChIKeyVUKBCZUPHBOVNG-UHFFFAOYSA-N
XLogP5.28
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.53
LogP ≤ 55.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide (CID 130344579) is N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide is CCc1ccc(-c2cc(C(=O)NC(C)(C)C)cc(-c3ccnn3C(C)C)n2)cc1.
What is the InChIKey of N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is VUKBCZUPHBOVNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O/c1-7-17-8-10-18(11-9-17)20-14-19(23(29)27-24(4,5)6)15-21(26-20)22-12-13-25-28(22)16(2)3/h8-16H,7H2,1-6H3,(H,27,29).
What are the key properties of N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide?
N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 390.53 g/mol, XLogP of 5.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-ethylphenyl)-6-(2-propan-2-ylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130344579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).