4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide

C24H25F2N3O3 — CID 54136965

IUPAC4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide
SMILESNC(Cc1ccc(OCc2ccccn2)cc1)C(O)C(F)(F)C(=O)NCc1ccccc1
InChIInChI=1S/C24H25F2N3O3/c25-24(26,23(31)29-15-18-6-2-1-3-7-18)22(30)21(27)14-17-9-11-20(12-10-17)32-16-19-8-4-5-13-28-19/h1-13,21-22,30H,14-16,27H2,(H,29,31)
InChIKeyNYKCUTKQXNQERO-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.84
Rot. Bonds10

About 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide

4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide (PubChem CID 54136965) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide.

Molecular Properties

Compound Name4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide
PubChem CID54136965
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide
SMILESNC(Cc1ccc(OCc2ccccn2)cc1)C(O)C(F)(F)C(=O)NCc1ccccc1
InChIInChI=1S/C24H25F2N3O3/c25-24(26,23(31)29-15-18-6-2-1-3-7-18)22(30)21(27)14-17-9-11-20(12-10-17)32-16-19-8-4-5-13-28-19/h1-13,21-22,30H,14-16,27H2,(H,29,31)
InChIKeyNYKCUTKQXNQERO-UHFFFAOYSA-N
XLogP2.84
TPSA97.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.48
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide
CID 54415841
benzyl N-[(3S)-6-amino-8-(benzylamino)-7,7-difluoro-6-hydroxy-2-methyl-4,8-dioxo-5-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]octan-3-yl]carbamate
CID 142656390
1,2-diphenyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]ethanamine
CID 55824515
4-amino-2,2-difluoro-3-hydroxy-N-pentyl-5-phenylpentanamide
CID 10805210
1-methyl-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87041161
(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide
CID 139926243
3-[(4-amino-2,2-difluoro-3-hydroxy-5-phenylpentanoyl)amino]benzoic acid
CID 10761262
2-[4-(pyridin-2-ylmethoxy)phenyl]acetic acid
CID 18958983
(2S)-4-methyl-2-(propan-2-ylamino)-1-[4-(pyridin-2-ylmethoxy)phenyl]pentan-3-one
CID 59915344
2-[[2-[4-(pyridin-2-ylmethoxy)phenyl]acetyl]amino]acetic acid
CID 101045266
3,4-dichloro-N-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]benzamide
CID 60534147
1-(4-propan-2-yloxyphenyl)-3-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]urea
CID 87009807

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide?
The IUPAC name of 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide (CID 54136965) is 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide.
What is the SMILES notation for 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide?
The canonical SMILES for 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide is NC(Cc1ccc(OCc2ccccn2)cc1)C(O)C(F)(F)C(=O)NCc1ccccc1.
What is the InChIKey of 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide?
The InChIKey is NYKCUTKQXNQERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c25-24(26,23(31)29-15-18-6-2-1-3-7-18)22(30)21(27)14-17-9-11-20(12-10-17)32-16-19-8-4-5-13-28-19/h1-13,21-22,30H,14-16,27H2,(H,29,31).
What are the key properties of 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide?
4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide has a molecular weight of 441.48 g/mol, XLogP of 2.84, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide is sourced from PubChem (CID 54136965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).