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

C23H21F3N4O3 — CID 164617860

IUPAC2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2F)cnc1N
InChIInChI=1S/C23H21F3N4O3/c1-11(2)29-22(32)18-7-13(10-28-21(18)27)17-4-3-16(9-19(17)26)30-23(33)20(31)12-5-14(24)8-15(25)6-12/h3-11,20,31H,1-2H3,(H2,27,28)(H,29,32)(H,30,33)/t20-/m1/s1
InChIKeyLBLBTNIBKKNQAH-HXUWFJFHSA-N
MW458.44 g/mol
LogP3.56
Rot. Bonds6

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

2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 164617860) has the molecular formula C23H21F3N4O3 and a molecular weight of 458.44 g/mol. Its IUPAC name is 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID164617860
Molecular FormulaC23H21F3N4O3
Molecular Weight458.44 g/mol
Exact Mass458.16
IUPAC Name2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2F)cnc1N
InChIInChI=1S/C23H21F3N4O3/c1-11(2)29-22(32)18-7-13(10-28-21(18)27)17-4-3-16(9-19(17)26)30-23(33)20(31)12-5-14(24)8-15(25)6-12/h3-11,20,31H,1-2H3,(H2,27,28)(H,29,32)(H,30,33)/t20-/m1/s1
InChIKeyLBLBTNIBKKNQAH-HXUWFJFHSA-N
XLogP3.56
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.44
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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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
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-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
2-amino-5-[4-[[(2R)-2-(3-ethylphenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
CID 156118036

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide (CID 164617860) is 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-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-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cc(-c2ccc(NC(=O)[C@H](O)c3cc(F)cc(F)c3)cc2F)cnc1N.
What is the InChIKey of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is LBLBTNIBKKNQAH-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H21F3N4O3/c1-11(2)29-22(32)18-7-13(10-28-21(18)27)17-4-3-16(9-19(17)26)30-23(33)20(31)12-5-14(24)8-15(25)6-12/h3-11,20,31H,1-2H3,(H2,27,28)(H,29,32)(H,30,33)/t20-/m1/s1.
What are the key properties of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide?
2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-2-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 458.44 g/mol, XLogP of 3.56, 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-fluorophenyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 164617860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).