N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide

C17H19F2N3O2 — CID 68919641

IUPACN-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccnc1CC(O)C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O2/c1-10(23)22-15-3-2-6-21-16(15)9-17(24)14(20)8-11-7-12(18)4-5-13(11)19/h2-7,14,17,24H,8-9,20H2,1H3,(H,22,23)
InChIKeyXYPDNBZIOQBSKR-UHFFFAOYSA-N
MW335.35 g/mol
LogP1.79
Rot. Bonds6

About N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide

N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide (PubChem CID 68919641) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide
PubChem CID68919641
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC NameN-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide
SMILESCC(=O)Nc1cccnc1CC(O)C(N)Cc1cc(F)ccc1F
InChIInChI=1S/C17H19F2N3O2/c1-10(23)22-15-3-2-6-21-16(15)9-17(24)14(20)8-11-7-12(18)4-5-13(11)19/h2-7,14,17,24H,8-9,20H2,1H3,(H,22,23)
InChIKeyXYPDNBZIOQBSKR-UHFFFAOYSA-N
XLogP1.79
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl N-[4-(3-acetamido-2-pyridinyl)-1-(2,5-difluorophenyl)-3-oxobutan-2-yl]carbamate
CID 77156867
2-[3-amino-4-[5-fluoro-2-(trifluoromethyl)phenyl]-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565307
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide
CID 72565285
2-[(2S,3R)-3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-phenylpyridine-3-carboxamide;dihydrochloride
CID 66638921
2-[(2S,3R)-3-amino-4-(4-chloro-2,5-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66638851
2-[(2S,3R)-3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-N-tert-butyl-4,5,6-trimethylpyridine-3-carboxamide;dihydrochloride
CID 66639346
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide
CID 72565304
2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565306
N-[2-(1-hydroxyethyl)-3-pyridinyl]acetamide
CID 133062279
methyl 3-amino-4-(2,5-difluorophenyl)butanoate
CID 72978585
2-amino-N-[2-(2-methylbutyl)-3-pyridinyl]propanamide
CID 143667870
3-(2,5-difluorophenyl)-1,1-diethoxypropan-2-amine
CID 79495766

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide (CID 68919641) is N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide is CC(=O)Nc1cccnc1CC(O)C(N)Cc1cc(F)ccc1F.
What is the InChIKey of N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide?
The InChIKey is XYPDNBZIOQBSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10(23)22-15-3-2-6-21-16(15)9-17(24)14(20)8-11-7-12(18)4-5-13(11)19/h2-7,14,17,24H,8-9,20H2,1H3,(H,22,23).
What are the key properties of N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide?
N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide has a molecular weight of 335.35 g/mol, XLogP of 1.79, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 68919641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).