2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide

C22H22F2N4O3 — CID 136591984

IUPAC2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1ccc(-c2cc(N(C)c3ccc(F)cc3F)ccc2O)nc1N
InChIInChI=1S/C22H22F2N4O3/c1-12(11-29)26-22(31)15-5-6-18(27-21(15)25)16-10-14(4-8-20(16)30)28(2)19-7-3-13(23)9-17(19)24/h3-10,12,29-30H,11H2,1-2H3,(H2,25,27)(H,26,31)
InChIKeyRAMFUADREJCHLU-UHFFFAOYSA-N
MW428.44 g/mol
LogP3.19
Rot. Bonds6

About 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide

2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide (PubChem CID 136591984) has the molecular formula C22H22F2N4O3 and a molecular weight of 428.44 g/mol. Its IUPAC name is 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
PubChem CID136591984
Molecular FormulaC22H22F2N4O3
Molecular Weight428.44 g/mol
Exact Mass428.17
IUPAC Name2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide
SMILESCC(CO)NC(=O)c1ccc(-c2cc(N(C)c3ccc(F)cc3F)ccc2O)nc1N
InChIInChI=1S/C22H22F2N4O3/c1-12(11-29)26-22(31)15-5-6-18(27-21(15)25)16-10-14(4-8-20(16)30)28(2)19-7-3-13(23)9-17(19)24/h3-10,12,29-30H,11H2,1-2H3,(H2,25,27)(H,26,31)
InChIKeyRAMFUADREJCHLU-UHFFFAOYSA-N
XLogP3.19
TPSA111.71 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.44
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide (CID 136591984) is 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide is CC(CO)NC(=O)c1ccc(-c2cc(N(C)c3ccc(F)cc3F)ccc2O)nc1N.
What is the InChIKey of 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
The InChIKey is RAMFUADREJCHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O3/c1-12(11-29)26-22(31)15-5-6-18(27-21(15)25)16-10-14(4-8-20(16)30)28(2)19-7-3-13(23)9-17(19)24/h3-10,12,29-30H,11H2,1-2H3,(H2,25,27)(H,26,31).
What are the key properties of 2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide?
2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-N-(1-hydroxypropan-2-yl)pyridine-3-carboxamide has a molecular weight of 428.44 g/mol, XLogP of 3.19, 6 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-(1-hydroxypropan-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 136591984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).