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

C24H23F3N4O3 — CID 156646659

IUPAC2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)c(F)cc1-c1cnc(N)c(C(=O)NC(C)C)c1
InChIInChI=1S/C24H23F3N4O3/c1-11(2)30-23(33)18-7-14(10-29-22(18)28)17-9-19(27)20(4-12(17)3)31-24(34)21(32)13-5-15(25)8-16(26)6-13/h4-11,21,32H,1-3H3,(H2,28,29)(H,30,33)(H,31,34)/t21-/m1/s1
InChIKeyCIKMOCHCVSSVMR-OAQYLSRUSA-N
MW472.47 g/mol
LogP3.87
Rot. Bonds6

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

2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 156646659) has the molecular formula C24H23F3N4O3 and a molecular weight of 472.47 g/mol. Its IUPAC name is 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID156646659
Molecular FormulaC24H23F3N4O3
Molecular Weight472.47 g/mol
Exact Mass472.17
IUPAC Name2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)c(F)cc1-c1cnc(N)c(C(=O)NC(C)C)c1
InChIInChI=1S/C24H23F3N4O3/c1-11(2)30-23(33)18-7-14(10-29-22(18)28)17-9-19(27)20(4-12(17)3)31-24(34)21(32)13-5-15(25)8-16(26)6-13/h4-11,21,32H,1-3H3,(H2,28,29)(H,30,33)(H,31,34)/t21-/m1/s1
InChIKeyCIKMOCHCVSSVMR-OAQYLSRUSA-N
XLogP3.87
TPSA117.34 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 53.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-5-[2-chloro-4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[(2S)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;2-amino-5-[2-chloro-4-[[2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]phenyl]-N-propan-2-ylpyridine-3-carboxamide;methyl thiohypofluorite
CID 167534126
[4-[6-amino-5-(propan-2-ylcarbamoyl)-3-pyridinyl]-3-methylphenyl] carbamate
CID 175258080
3-amino-6-[4-[[(2R)-2-(3-fluoro-5-methylphenyl)-2-hydroxyacetyl]amino]-2-methylphenyl]-N-methylpyrazine-2-carboxamide
CID 158019577
[2-[4-[6-amino-5-(3-methylbutanoyl)-3-pyridinyl]-N-hydroxy-3-methylanilino]-1-(3,5-difluorophenyl)-2-oxoethyl] acetate
CID 167604828
2-(3,5-difluorophenyl)-2-hydroxy-N-[3-methyl-4-[5-(3-methylbutanoyl)-3-pyridinyl]phenyl]acetamide
CID 167679278
N-[4-(6-amino-5-formyl-3-pyridinyl)-3-methylphenyl]-2-(3,5-difluorophenyl)acetamide;N-methylpropan-2-amine
CID 156646549
(2S)-N-[4-[8-amino-5-methyl-3-(trideuteriomethyl)imidazo[1,5-a]pyrazin-1-yl]-3-methylphenyl]-2-[3-fluoro-5-(trifluoromethyl)phenyl]-2-hydroxyacetamide
CID 156646373
2-amino-N-(2-chloro-6-methylphenyl)-5-(3-fluorophenyl)pyridine-3-carboxamide
CID 155552021
2-bromo-5-fluoro-N-propan-2-ylpyridine-4-carboxamide
CID 155818610
2-chloro-5-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 103891263
6-methyl-4-(methylamino)-N-propan-2-ylpyridine-3-carboxamide
CID 81236299
4-amino-6-methyl-N-(2,4,5-trifluorophenyl)pyridine-3-carboxamide
CID 81240870

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide (CID 156646659) is 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-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]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide is Cc1cc(NC(=O)[C@H](O)c2cc(F)cc(F)c2)c(F)cc1-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]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is CIKMOCHCVSSVMR-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H23F3N4O3/c1-11(2)30-23(33)18-7-14(10-29-22(18)28)17-9-19(27)20(4-12(17)3)31-24(34)21(32)13-5-15(25)8-16(26)6-13/h4-11,21,32H,1-3H3,(H2,28,29)(H,30,33)(H,31,34)/t21-/m1/s1.
What are the key properties of 2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide?
2-amino-5-[4-[[(2R)-2-(3,5-difluorophenyl)-2-hydroxyacetyl]amino]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 472.47 g/mol, XLogP of 3.87, 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]-5-fluoro-2-methylphenyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 156646659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).