(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide

C21H29N3O2 — CID 135775451

IUPAC(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide
SMILESCC(C)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C21H29N3O2/c1-15(2)18(21(26)24-14-17-8-10-23-11-9-17)13-20(25)19(22)12-16-6-4-3-5-7-16/h3-11,15,18-20,25H,12-14,22H2,1-2H3,(H,24,26)/t18-,19+,20+/m1/s1
InChIKeyUHZSVKIRKPXSMK-AABGKKOBSA-N
MW355.48 g/mol
LogP2.29
Rot. Bonds9

About (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide

(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide (PubChem CID 135775451) has the molecular formula C21H29N3O2 and a molecular weight of 355.48 g/mol. Its IUPAC name is (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide.

Molecular Properties

Compound Name(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide
PubChem CID135775451
Molecular FormulaC21H29N3O2
Molecular Weight355.48 g/mol
Exact Mass355.23
IUPAC Name(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide
SMILESCC(C)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccncc1
InChIInChI=1S/C21H29N3O2/c1-15(2)18(21(26)24-14-17-8-10-23-11-9-17)13-20(25)19(22)12-16-6-4-3-5-7-16/h3-11,15,18-20,25H,12-14,22H2,1-2H3,(H,24,26)/t18-,19+,20+/m1/s1
InChIKeyUHZSVKIRKPXSMK-AABGKKOBSA-N
XLogP2.29
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.48
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(2H-tetrazol-5-ylmethyl)hexanamide
CID 11725187
(2R,4S,5S)-5-amino-N-[2-(5-amino-1,2,4-oxadiazol-3-yl)ethyl]-4-hydroxy-6-phenyl-2-propan-2-ylhexanamide
CID 135678156
(2S)-2-benzyl-3-methyl-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]butanamide
CID 97215411
2-[acetyl(benzyl)amino]-3-phenyl-N-(pyridin-4-ylmethyl)propanamide
CID 133214013
benzyl N-[(2S)-3-methyl-1-oxo-1-(pyridin-4-ylmethylamino)butan-2-yl]carbamate
CID 87040217
2-amino-4-methyl-N-(pyridin-4-ylmethyl)pentanamide
CID 43107780
(2S,3S)-3-amino-N-benzyl-2-hydroxybutanamide
CID 71428233
(2S)-2-amino-N-benzyl-3-methylbutanamide
CID 11063601
2,3-diamino-N-benzylbutanamide
CID 143155055
2-amino-N-benzyl-3-methylbutanamide
CID 14404632
(2R,4S,5S)-5-amino-4-hydroxy-2-methyl-N-(1,2-oxazol-3-yl)-6-phenylhexanamide
CID 68890744
(2S)-2,3-dimethyl-N-(pyridin-4-ylmethyl)butanamide;ethane;molecular hydrogen
CID 143277001

Frequently Asked Questions

What is the IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide?
The IUPAC name of (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide (CID 135775451) is (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide.
What is the SMILES notation for (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide?
The canonical SMILES for (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide is CC(C)[C@@H](C[C@H](O)[C@@H](N)Cc1ccccc1)C(=O)NCc1ccncc1.
What is the InChIKey of (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide?
The InChIKey is UHZSVKIRKPXSMK-AABGKKOBSA-N. The full InChI is InChI=1S/C21H29N3O2/c1-15(2)18(21(26)24-14-17-8-10-23-11-9-17)13-20(25)19(22)12-16-6-4-3-5-7-16/h3-11,15,18-20,25H,12-14,22H2,1-2H3,(H,24,26)/t18-,19+,20+/m1/s1.
What are the key properties of (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide?
(2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide has a molecular weight of 355.48 g/mol, XLogP of 2.29, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5S)-5-amino-4-hydroxy-6-phenyl-2-propan-2-yl-N-(pyridin-4-ylmethyl)hexanamide is sourced from PubChem (CID 135775451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).