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

C24H24F2N4O3 — CID 142459303

IUPAC2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1
InChIInChI=1S/C24H24F2N4O3/c1-12(2)29-23(32)20-9-15(11-28-22(20)27)19-5-4-18(6-13(19)3)30-24(33)21(31)14-7-16(25)10-17(26)8-14/h4-12,21,31H,1-3H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1
InChIKeyBRIWRAFDHZTJPE-OAQYLSRUSA-N
MW454.48 g/mol
LogP3.73
Rot. Bonds6

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

2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 142459303) has the molecular formula C24H24F2N4O3 and a molecular weight of 454.48 g/mol. Its IUPAC name is 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID142459303
Molecular FormulaC24H24F2N4O3
Molecular Weight454.48 g/mol
Exact Mass454.18
IUPAC Name2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1
InChIInChI=1S/C24H24F2N4O3/c1-12(2)29-23(32)20-9-15(11-28-22(20)27)19-5-4-18(6-13(19)3)30-24(33)21(31)14-7-16(25)10-17(26)8-14/h4-12,21,31H,1-3H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1
InChIKeyBRIWRAFDHZTJPE-OAQYLSRUSA-N
XLogP3.73
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.48
LogP ≤ 53.73
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

6-(Dimethylamino)-8-Fluoro-2-[2-(Hydroxymethyl)-3-(1-Methyl-5-{[5-(Morpholin-4-Ylcarbonyl)pyridin-2-Yl]amino}-6-Oxo-1,6-Dihydropyridin-3-Yl)phenyl]isoquinolin-1(2h)-One
CID 46908418
2-amino-N-cyclopropyl-5-(4-{[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino}-2-methylphenyl)pyridine-3-carboxamide
CID 155908695
3-amino-6-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide
CID 135362975
6-(3,5-dimethylphenyl)-3-[3-(hydroxymethyl)phenyl]-5-[[methyl-[[(2S)-pyrrolidin-2-yl]methyl]amino]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 140762383
2-Amino-5-[4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]pyridine-3-carboxylic acid
CID 156117898
2-amino-5-[2-methyl-4-[(2-phenylacetyl)amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156117919
2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156117969
2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methoxyphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156117988
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
propan-2-yl 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]pyridine-3-carboxylate
CID 156118035

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide (CID 142459303) is 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide is Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)ccc1-c1cnc(N)c(C(=O)NC(C)C)c1.
What is the InChIKey of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is BRIWRAFDHZTJPE-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H24F2N4O3/c1-12(2)29-23(32)20-9-15(11-28-22(20)27)19-5-4-18(6-13(19)3)30-24(33)21(31)14-7-16(25)10-17(26)8-14/h4-12,21,31H,1-3H3,(H2,27,28)(H,29,32)(H,30,33)/t21-/m1/s1.
What are the key properties of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide?
2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 454.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 142459303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).