(4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide

C19H23F2N3O2 — CID 171054513

IUPAC(4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide
SMILESCN(C)[C@H](Cc1c(F)cc(O)cc1F)CC(Cc1ccncc1)C(N)=O
InChIInChI=1S/C19H23F2N3O2/c1-24(2)14(9-16-17(20)10-15(25)11-18(16)21)8-13(19(22)26)7-12-3-5-23-6-4-12/h3-6,10-11,13-14,25H,7-9H2,1-2H3,(H2,22,26)/t13?,14-/m0/s1
InChIKeyWAWMLPUZXRLRNX-KZUDCZAMSA-N
MW363.41 g/mol
LogP2.27
Rot. Bonds8

About (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide

(4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide (PubChem CID 171054513) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide.

Molecular Properties

Compound Name(4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide
PubChem CID171054513
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC Name(4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide
SMILESCN(C)[C@H](Cc1c(F)cc(O)cc1F)CC(Cc1ccncc1)C(N)=O
InChIInChI=1S/C19H23F2N3O2/c1-24(2)14(9-16-17(20)10-15(25)11-18(16)21)8-13(19(22)26)7-12-3-5-23-6-4-12/h3-6,10-11,13-14,25H,7-9H2,1-2H3,(H2,22,26)/t13?,14-/m0/s1
InChIKeyWAWMLPUZXRLRNX-KZUDCZAMSA-N
XLogP2.27
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide?
The IUPAC name of (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide (CID 171054513) is (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide.
What is the SMILES notation for (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide?
The canonical SMILES for (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide is CN(C)[C@H](Cc1c(F)cc(O)cc1F)CC(Cc1ccncc1)C(N)=O.
What is the InChIKey of (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide?
The InChIKey is WAWMLPUZXRLRNX-KZUDCZAMSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-24(2)14(9-16-17(20)10-15(25)11-18(16)21)8-13(19(22)26)7-12-3-5-23-6-4-12/h3-6,10-11,13-14,25H,7-9H2,1-2H3,(H2,22,26)/t13?,14-/m0/s1.
What are the key properties of (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide?
(4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide has a molecular weight of 363.41 g/mol, XLogP of 2.27, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5-(2,6-difluoro-4-hydroxyphenyl)-4-(dimethylamino)-2-(pyridin-4-ylmethyl)pentanamide is sourced from PubChem (CID 171054513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).