N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide

C26H30F2N6O2 — CID 154457851

IUPACN-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCc2ccc(-c3cc(N(C)c4ccc(F)cc4F)ccc3O)nc2N)CC1
InChIInChI=1S/C26H30F2N6O2/c1-32-9-11-34(12-10-32)16-25(36)30-15-17-3-6-22(31-26(17)29)20-14-19(5-8-24(20)35)33(2)23-7-4-18(27)13-21(23)28/h3-8,13-14,35H,9-12,15-16H2,1-2H3,(H2,29,31)(H,30,36)
InChIKeyAJSLYABXUSYKHA-UHFFFAOYSA-N
MW496.56 g/mol
LogP2.95
Rot. Bonds7

About N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide

N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide (PubChem CID 154457851) has the molecular formula C26H30F2N6O2 and a molecular weight of 496.56 g/mol. Its IUPAC name is N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide.

Molecular Properties

Compound NameN-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
PubChem CID154457851
Molecular FormulaC26H30F2N6O2
Molecular Weight496.56 g/mol
Exact Mass496.24
IUPAC NameN-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide
SMILESCN1CCN(CC(=O)NCc2ccc(-c3cc(N(C)c4ccc(F)cc4F)ccc3O)nc2N)CC1
InChIInChI=1S/C26H30F2N6O2/c1-32-9-11-34(12-10-32)16-25(36)30-15-17-3-6-22(31-26(17)29)20-14-19(5-8-24(20)35)33(2)23-7-4-18(27)13-21(23)28/h3-8,13-14,35H,9-12,15-16H2,1-2H3,(H2,29,31)(H,30,36)
InChIKeyAJSLYABXUSYKHA-UHFFFAOYSA-N
XLogP2.95
TPSA97.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.56
LogP ≤ 52.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The IUPAC name of N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide (CID 154457851) is N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide.
What is the SMILES notation for N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The canonical SMILES for N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide is CN1CCN(CC(=O)NCc2ccc(-c3cc(N(C)c4ccc(F)cc4F)ccc3O)nc2N)CC1.
What is the InChIKey of N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
The InChIKey is AJSLYABXUSYKHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N6O2/c1-32-9-11-34(12-10-32)16-25(36)30-15-17-3-6-22(31-26(17)29)20-14-19(5-8-24(20)35)33(2)23-7-4-18(27)13-21(23)28/h3-8,13-14,35H,9-12,15-16H2,1-2H3,(H2,29,31)(H,30,36).
What are the key properties of N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide?
N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide has a molecular weight of 496.56 g/mol, XLogP of 2.95, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-[5-(2,4-difluoro-N-methylanilino)-2-hydroxyphenyl]-3-pyridinyl]methyl]-2-(4-methylpiperazin-1-yl)acetamide is sourced from PubChem (CID 154457851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).