N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide

C25H22F2N6O2 — CID 143251134

IUPACN-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(-c3cc(Nc4ccccc4C(F)F)ccc3O)nc2N)cn1
InChIInChI=1S/C25H22F2N6O2/c1-14-11-30-21(13-29-14)25(35)31-12-15-6-8-20(33-24(15)28)18-10-16(7-9-22(18)34)32-19-5-3-2-4-17(19)23(26)27/h2-11,13,23,32,34H,12H2,1H3,(H2,28,33)(H,31,35)
InChIKeyRTOQAVIJZKRSKF-UHFFFAOYSA-N
MW476.49 g/mol
LogP4.75
Rot. Bonds7

About N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide

N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide (PubChem CID 143251134) has the molecular formula C25H22F2N6O2 and a molecular weight of 476.49 g/mol. Its IUPAC name is N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide
PubChem CID143251134
Molecular FormulaC25H22F2N6O2
Molecular Weight476.49 g/mol
Exact Mass476.18
IUPAC NameN-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NCc2ccc(-c3cc(Nc4ccccc4C(F)F)ccc3O)nc2N)cn1
InChIInChI=1S/C25H22F2N6O2/c1-14-11-30-21(13-29-14)25(35)31-12-15-6-8-20(33-24(15)28)18-10-16(7-9-22(18)34)32-19-5-3-2-4-17(19)23(26)27/h2-11,13,23,32,34H,12H2,1H3,(H2,28,33)(H,31,35)
InChIKeyRTOQAVIJZKRSKF-UHFFFAOYSA-N
XLogP4.75
TPSA126.05 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.49
LogP ≤ 54.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide (CID 143251134) is N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NCc2ccc(-c3cc(Nc4ccccc4C(F)F)ccc3O)nc2N)cn1.
What is the InChIKey of N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide?
The InChIKey is RTOQAVIJZKRSKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N6O2/c1-14-11-30-21(13-29-14)25(35)31-12-15-6-8-20(33-24(15)28)18-10-16(7-9-22(18)34)32-19-5-3-2-4-17(19)23(26)27/h2-11,13,23,32,34H,12H2,1H3,(H2,28,33)(H,31,35).
What are the key properties of N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide?
N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide has a molecular weight of 476.49 g/mol, XLogP of 4.75, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-amino-6-[5-[2-(difluoromethyl)anilino]-2-hydroxyphenyl]-3-pyridinyl]methyl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 143251134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).