2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide

C24H26F2N4O3 — CID 91215735

IUPAC2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide
SMILESCN(c1ccc(O)c(C(O)C(C)(C)Cc2ccc(C(N)=O)c(N)n2)c1)c1ccc(F)cc1F
InChIInChI=1S/C24H26F2N4O3/c1-24(2,12-14-5-7-16(23(28)33)22(27)29-14)21(32)17-11-15(6-9-20(17)31)30(3)19-8-4-13(25)10-18(19)26/h4-11,21,31-32H,12H2,1-3H3,(H2,27,29)(H2,28,33)
InChIKeyKNQQIFPZJFWWAG-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.82
Rot. Bonds7

About 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide

2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide (PubChem CID 91215735) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide
PubChem CID91215735
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Name2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide
SMILESCN(c1ccc(O)c(C(O)C(C)(C)Cc2ccc(C(N)=O)c(N)n2)c1)c1ccc(F)cc1F
InChIInChI=1S/C24H26F2N4O3/c1-24(2,12-14-5-7-16(23(28)33)22(27)29-14)21(32)17-11-15(6-9-20(17)31)30(3)19-8-4-13(25)10-18(19)26/h4-11,21,31-32H,12H2,1-3H3,(H2,27,29)(H2,28,33)
InChIKeyKNQQIFPZJFWWAG-UHFFFAOYSA-N
XLogP3.82
TPSA125.70 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.49
LogP ≤ 53.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide (CID 91215735) is 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide is CN(c1ccc(O)c(C(O)C(C)(C)Cc2ccc(C(N)=O)c(N)n2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide?
The InChIKey is KNQQIFPZJFWWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-24(2,12-14-5-7-16(23(28)33)22(27)29-14)21(32)17-11-15(6-9-20(17)31)30(3)19-8-4-13(25)10-18(19)26/h4-11,21,31-32H,12H2,1-3H3,(H2,27,29)(H2,28,33).
What are the key properties of 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide?
2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 3.82, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[3-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-hydroxy-2,2-dimethylpropyl]pyridine-3-carboxamide is sourced from PubChem (CID 91215735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).