2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide

C20H25F2N3O2 — CID 72565306

IUPAC2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1CC(O)C(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H25F2N3O2/c1-20(2,3)25-19(27)13-5-4-8-24-17(13)11-18(26)16(23)10-12-6-7-14(21)15(22)9-12/h4-9,16,18,26H,10-11,23H2,1-3H3,(H,25,27)
InChIKeyOAEJZURYJJHODJ-UHFFFAOYSA-N
MW377.44 g/mol
LogP2.36
Rot. Bonds6

About 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide

2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide (PubChem CID 72565306) has the molecular formula C20H25F2N3O2 and a molecular weight of 377.44 g/mol. Its IUPAC name is 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
PubChem CID72565306
Molecular FormulaC20H25F2N3O2
Molecular Weight377.44 g/mol
Exact Mass377.19
IUPAC Name2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
SMILESCC(C)(C)NC(=O)c1cccnc1CC(O)C(N)Cc1ccc(F)c(F)c1
InChIInChI=1S/C20H25F2N3O2/c1-20(2,3)25-19(27)13-5-4-8-24-17(13)11-18(26)16(23)10-12-6-7-14(21)15(22)9-12/h4-9,16,18,26H,10-11,23H2,1-3H3,(H,25,27)
InChIKeyOAEJZURYJJHODJ-UHFFFAOYSA-N
XLogP2.36
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66639462
2-[(2S,3R)-3-amino-4-(4-chloro-2,5-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66638851
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-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide
CID 72565304
benzyl N-[(2R)-4-[3-(tert-butylcarbamoyl)-2-pyridinyl]-3-oxo-1-(2,4,5-trifluorophenyl)butan-2-yl]carbamate
CID 66639506
N-tert-butyl-2-fluoropyridine-3-carboxamide
CID 83405548
2-[(2S,3R)-3-amino-2-hydroxy-4-(2,4,5-trifluorophenyl)butyl]-N-tert-butyl-4-(trifluoromethyl)benzamide
CID 89475569
N-tert-butyl-2-[4-(2-fluorophenyl)-2-oxobutyl]pyridine-3-carboxamide
CID 91292292
N-tert-butyl-2-[(2R)-2-hydroxy-5-pyridin-2-ylpentyl]pyridine-3-carboxamide
CID 70316855
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-5-methylbenzamide
CID 69131710

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide?
The IUPAC name of 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide (CID 72565306) is 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide is CC(C)(C)NC(=O)c1cccnc1CC(O)C(N)Cc1ccc(F)c(F)c1.
What is the InChIKey of 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide?
The InChIKey is OAEJZURYJJHODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25F2N3O2/c1-20(2,3)25-19(27)13-5-4-8-24-17(13)11-18(26)16(23)10-12-6-7-14(21)15(22)9-12/h4-9,16,18,26H,10-11,23H2,1-3H3,(H,25,27).
What are the key properties of 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide?
2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide has a molecular weight of 377.44 g/mol, XLogP of 2.36, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide is sourced from PubChem (CID 72565306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).