N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide

C23H25N3O3 — CID 166208718

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2cccnc2Oc2cccnc2)cc1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)17-10-8-16(9-11-17)20(27)15-26-21(28)19-7-5-13-25-22(19)29-18-6-4-12-24-14-18/h4-14,20,27H,15H2,1-3H3,(H,26,28)
InChIKeyABPSSYMZKSRASR-UHFFFAOYSA-N
MW391.47 g/mol
LogP4.03
Rot. Bonds6

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide (PubChem CID 166208718) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
PubChem CID166208718
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(C(O)CNC(=O)c2cccnc2Oc2cccnc2)cc1
InChIInChI=1S/C23H25N3O3/c1-23(2,3)17-10-8-16(9-11-17)20(27)15-26-21(28)19-7-5-13-25-22(19)29-18-6-4-12-24-14-18/h4-14,20,27H,15H2,1-3H3,(H,26,28)
InChIKeyABPSSYMZKSRASR-UHFFFAOYSA-N
XLogP4.03
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide (CID 166208718) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide is CC(C)(C)c1ccc(C(O)CNC(=O)c2cccnc2Oc2cccnc2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
The InChIKey is ABPSSYMZKSRASR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-23(2,3)17-10-8-16(9-11-17)20(27)15-26-21(28)19-7-5-13-25-22(19)29-18-6-4-12-24-14-18/h4-14,20,27H,15H2,1-3H3,(H,26,28).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide has a molecular weight of 391.47 g/mol, XLogP of 4.03, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-2-pyridin-3-yloxypyridine-3-carboxamide is sourced from PubChem (CID 166208718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).