3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide

C21H19F2N5O3 — CID 135362975

IUPAC3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N
InChIInChI=1S/C21H19F2N5O3/c1-10-5-14(27-21(31)18(29)11-6-12(22)8-13(23)7-11)3-4-15(10)16-9-26-19(24)17(28-16)20(30)25-2/h3-9,18,29H,1-2H3,(H2,24,26)(H,25,30)(H,27,31)/t18-/m1/s1
InChIKeyWFLLOUGNTSBEON-GOSISDBHSA-N
MW427.41 g/mol
LogP2.34
Rot. Bonds5

About 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide

3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide (PubChem CID 135362975) has the molecular formula C21H19F2N5O3 and a molecular weight of 427.41 g/mol. Its IUPAC name is 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide
PubChem CID135362975
Molecular FormulaC21H19F2N5O3
Molecular Weight427.41 g/mol
Exact Mass427.15
IUPAC Name3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide
SMILESCNC(=O)c1nc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N
InChIInChI=1S/C21H19F2N5O3/c1-10-5-14(27-21(31)18(29)11-6-12(22)8-13(23)7-11)3-4-15(10)16-9-26-19(24)17(28-16)20(30)25-2/h3-9,18,29H,1-2H3,(H2,24,26)(H,25,30)(H,27,31)/t18-/m1/s1
InChIKeyWFLLOUGNTSBEON-GOSISDBHSA-N
XLogP2.34
TPSA130.23 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.41
LogP ≤ 52.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

CID 142459303
CID 142459303
2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
CID 155908695
2-Amino-5-[4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]pyridine-3-carboxylic acid
CID 156117898
2-amino-5-[4-[[(2S)-2-hydroxy-2-phenylpropanoyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118015
2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-ethylpyridine-3-carboxamide
CID 156118016
2-amino-5-[4-[[(2R)-2-(3-chlorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118031
2-amino-5-[4-[[(2R)-2-(3-ethylphenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118036
2-amino-5-[4-[[(2R)-2-hydroxy-2-phenylpropanoyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118048
(2R)-N-[4-(6-amino-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)-2-hydroxyacetamide
CID 156118083
2-amino-5-[4-[[(2R)-2-hydroxy-2-(3-methylphenyl)acetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118095
2-amino-5-[4-[[(2R)-2-hydroxy-2-phenylacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118155
5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118171

Frequently Asked Questions

What is the IUPAC name of 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide?
The IUPAC name of 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide (CID 135362975) is 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide?
The canonical SMILES for 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide is CNC(=O)c1nc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2C)cnc1N.
What is the InChIKey of 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide?
The InChIKey is WFLLOUGNTSBEON-GOSISDBHSA-N. The full InChI is InChI=1S/C21H19F2N5O3/c1-10-5-14(27-21(31)18(29)11-6-12(22)8-13(23)7-11)3-4-15(10)16-9-26-19(24)17(28-16)20(30)25-2/h3-9,18,29H,1-2H3,(H2,24,26)(H,25,30)(H,27,31)/t18-/m1/s1.
What are the key properties of 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide?
3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide has a molecular weight of 427.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide is sourced from PubChem (CID 135362975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).