4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide

C24H25F2N3O3 — CID 54415841

IUPAC4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide
SMILESNC(Cc1ccc(OCc2ccccc2)cc1)C(O)C(F)(F)C(=O)NCc1cccnc1
InChIInChI=1S/C24H25F2N3O3/c25-24(26,23(31)29-15-19-7-4-12-28-14-19)22(30)21(27)13-17-8-10-20(11-9-17)32-16-18-5-2-1-3-6-18/h1-12,14,21-22,30H,13,15-16,27H2,(H,29,31)
InChIKeyVXIOPAHTCOHJCB-UHFFFAOYSA-N
MW441.48 g/mol
LogP2.84
Rot. Bonds10

About 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide

4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide (PubChem CID 54415841) has the molecular formula C24H25F2N3O3 and a molecular weight of 441.48 g/mol. Its IUPAC name is 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide.

Molecular Properties

Compound Name4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide
PubChem CID54415841
Molecular FormulaC24H25F2N3O3
Molecular Weight441.48 g/mol
Exact Mass441.19
IUPAC Name4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide
SMILESNC(Cc1ccc(OCc2ccccc2)cc1)C(O)C(F)(F)C(=O)NCc1cccnc1
InChIInChI=1S/C24H25F2N3O3/c25-24(26,23(31)29-15-19-7-4-12-28-14-19)22(30)21(27)13-17-8-10-20(11-9-17)32-16-18-5-2-1-3-6-18/h1-12,14,21-22,30H,13,15-16,27H2,(H,29,31)
InChIKeyVXIOPAHTCOHJCB-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-N-benzyl-2,2-difluoro-3-hydroxy-5-[4-(pyridin-2-ylmethoxy)phenyl]pentanamide
CID 54136965
1-(4-phenylmethoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 110706294
N-[(4-phenylmethoxyphenyl)methyl]pyridine-3-carboxamide
CID 23130542
(4S)-4-amino-N-[2-(diethylamino)-2-oxoethyl]-2,2-difluoro-3-hydroxy-5-phenylpentanamide
CID 139926243
(2S)-2-amino-3-(4-phenylmethoxyphenyl)propane-1,1-diol
CID 130242612
methyl (2S,3S)-3-amino-2-hydroxy-4-(4-phenylmethoxyphenyl)butanoate
CID 10041390
4-phenyl-N-[[4-(pyridin-3-ylmethoxy)phenyl]methyl]benzamide
CID 46476162
pyridin-3-ylmethyl N-[1-[[4,4-difluoro-3,5-dioxo-1-(4-phenylmethoxyphenyl)-5-(pyridin-2-ylmethylamino)pentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]carbamate
CID 57285361
3-amino-N-benzyl-2-hydroxy-4-pyridin-3-ylbutanamide;dihydrochloride
CID 162386460
2-acetamido-3-(4-phenylmethoxyphenyl)sulfanyl-N-(pyridin-3-ylmethyl)propanamide
CID 3917706
2-methyl-2-phenoxy-N-(pyridin-3-ylmethyl)propanamide
CID 30307775
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(pyridin-3-ylmethyl)propanamide
CID 61148036

Frequently Asked Questions

What is the IUPAC name of 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide?
The IUPAC name of 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide (CID 54415841) is 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide.
What is the SMILES notation for 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide?
The canonical SMILES for 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide is NC(Cc1ccc(OCc2ccccc2)cc1)C(O)C(F)(F)C(=O)NCc1cccnc1.
What is the InChIKey of 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide?
The InChIKey is VXIOPAHTCOHJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F2N3O3/c25-24(26,23(31)29-15-19-7-4-12-28-14-19)22(30)21(27)13-17-8-10-20(11-9-17)32-16-18-5-2-1-3-6-18/h1-12,14,21-22,30H,13,15-16,27H2,(H,29,31).
What are the key properties of 4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide?
4-amino-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)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-2,2-difluoro-3-hydroxy-5-(4-phenylmethoxyphenyl)-N-(pyridin-3-ylmethyl)pentanamide is sourced from PubChem (CID 54415841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).