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

C24H26F2N4O3 — CID 142681694

IUPAC2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide
SMILESCN(c1ccc(O)c(-c2ccc(C(=O)NCC(C)(C)CO)c(N)n2)c1)c1ccc(F)cc1F
InChIInChI=1S/C24H26F2N4O3/c1-24(2,13-31)12-28-23(33)16-6-7-19(29-22(16)27)17-11-15(5-9-21(17)32)30(3)20-8-4-14(25)10-18(20)26/h4-11,31-32H,12-13H2,1-3H3,(H2,27,29)(H,28,33)
InChIKeyRWZLAUFNCNIODH-UHFFFAOYSA-N
MW456.49 g/mol
LogP3.83
Rot. Bonds7

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

2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide (PubChem CID 142681694) has the molecular formula C24H26F2N4O3 and a molecular weight of 456.49 g/mol. Its IUPAC name is 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide
PubChem CID142681694
Molecular FormulaC24H26F2N4O3
Molecular Weight456.49 g/mol
Exact Mass456.20
IUPAC Name2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide
SMILESCN(c1ccc(O)c(-c2ccc(C(=O)NCC(C)(C)CO)c(N)n2)c1)c1ccc(F)cc1F
InChIInChI=1S/C24H26F2N4O3/c1-24(2,13-31)12-28-23(33)16-6-7-19(29-22(16)27)17-11-15(5-9-21(17)32)30(3)20-8-4-14(25)10-18(20)26/h4-11,31-32H,12-13H2,1-3H3,(H2,27,29)(H,28,33)
InChIKeyRWZLAUFNCNIODH-UHFFFAOYSA-N
XLogP3.83
TPSA111.71 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 ≤ 53.83
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[3-(dimethylamino)propyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135461278
2-amino-N-[(1,5-dimethylpyrrol-2-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135487392
N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
CID 154457851
2-amino-N-[(1-ethylpiperidin-3-yl)methyl]-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]pyridine-3-carboxamide
CID 135491792
2-amino-6-[5-(2-fluoro-N,4-dimethylanilino)-2-hydroxyphenyl]-N-[[1-[2-(methylamino)ethyl]piperidin-3-yl]methyl]pyridine-3-carboxamide
CID 135520198
4-amino-2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 113293421
N-(3-amino-2,2-dimethylpropyl)-5-fluoro-2-hydroxybenzamide
CID 115365585
2-fluoro-6-hydroxy-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 100615294
2-amino-N-[2-(dimethylamino)-2-methylpropyl]-4-fluorobenzamide
CID 63110068
N-(4-chloro-2,2-dimethylbutyl)-5-fluoro-2-hydroxybenzamide
CID 106142770
4-amino-2-chloro-N-(3-hydroxy-2,2-dimethylpropyl)benzamide
CID 110464984
N-(4-amino-2,2-dimethylbutyl)-2,5-difluorobenzamide
CID 106139692

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide (CID 142681694) is 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide is CN(c1ccc(O)c(-c2ccc(C(=O)NCC(C)(C)CO)c(N)n2)c1)c1ccc(F)cc1F.
What is the InChIKey of 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide?
The InChIKey is RWZLAUFNCNIODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3/c1-24(2,13-31)12-28-23(33)16-6-7-19(29-22(16)27)17-11-15(5-9-21(17)32)30(3)20-8-4-14(25)10-18(20)26/h4-11,31-32H,12-13H2,1-3H3,(H2,27,29)(H,28,33).
What are the key properties of 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide?
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide has a molecular weight of 456.49 g/mol, XLogP of 3.83, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(3-hydroxy-2,2-dimethylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 142681694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).