N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide

C21H23ClN4O — CID 130298809

IUPACN-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCCn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H23ClN4O/c1-5-26-19(10-11-23-26)18-13-15(20(27)25-21(2,3)4)12-17(24-18)14-6-8-16(22)9-7-14/h6-13H,5H2,1-4H3,(H,25,27)
InChIKeyBYLOIQNAYCPRMH-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.81
Rot. Bonds4

About N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide

N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide (PubChem CID 130298809) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide
PubChem CID130298809
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC NameN-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide
SMILESCCn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1
InChIInChI=1S/C21H23ClN4O/c1-5-26-19(10-11-23-26)18-13-15(20(27)25-21(2,3)4)12-17(24-18)14-6-8-16(22)9-7-14/h6-13H,5H2,1-4H3,(H,25,27)
InChIKeyBYLOIQNAYCPRMH-UHFFFAOYSA-N
XLogP4.81
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.81
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-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide (CID 130298809) is N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide is CCn1nccc1-c1cc(C(=O)NC(C)(C)C)cc(-c2ccc(Cl)cc2)n1.
What is the InChIKey of N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide?
The InChIKey is BYLOIQNAYCPRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-5-26-19(10-11-23-26)18-13-15(20(27)25-21(2,3)4)12-17(24-18)14-6-8-16(22)9-7-14/h6-13H,5H2,1-4H3,(H,25,27).
What are the key properties of N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide?
N-tert-butyl-2-(4-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide has a molecular weight of 382.90 g/mol, XLogP of 4.81, 4 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-chlorophenyl)-6-(2-ethylpyrazol-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 130298809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).