2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide

C19H24FN3O2 — CID 72565285

IUPAC2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1CC(O)C(N)Cc1ccccc1F
InChIInChI=1S/C19H24FN3O2/c1-12(2)23-19(25)14-7-5-9-22-17(14)11-18(24)16(21)10-13-6-3-4-8-15(13)20/h3-9,12,16,18,24H,10-11,21H2,1-2H3,(H,23,25)
InChIKeyYWDANMFKNSUMEP-UHFFFAOYSA-N
MW345.42 g/mol
LogP1.83
Rot. Bonds7

About 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide

2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide (PubChem CID 72565285) has the molecular formula C19H24FN3O2 and a molecular weight of 345.42 g/mol. Its IUPAC name is 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide
PubChem CID72565285
Molecular FormulaC19H24FN3O2
Molecular Weight345.42 g/mol
Exact Mass345.19
IUPAC Name2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide
SMILESCC(C)NC(=O)c1cccnc1CC(O)C(N)Cc1ccccc1F
InChIInChI=1S/C19H24FN3O2/c1-12(2)23-19(25)14-7-5-9-22-17(14)11-18(24)16(21)10-13-6-3-4-8-15(13)20/h3-9,12,16,18,24H,10-11,21H2,1-2H3,(H,23,25)
InChIKeyYWDANMFKNSUMEP-UHFFFAOYSA-N
XLogP1.83
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
2-[(2S,3R)-3-amino-4-(4-chloro-2,5-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66638851
2-[3-amino-4-(3,4-difluorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565306
2-[3-amino-4-[5-fluoro-2-(trifluoromethyl)phenyl]-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 72565307
N-[2-[3-amino-4-(2,5-difluorophenyl)-2-hydroxybutyl]-3-pyridinyl]acetamide
CID 68919641
2-fluoro-N-propan-2-ylpyridine-3-carboxamide
CID 83404912
2-[[2-(2-fluorophenyl)acetyl]amino]-N-propan-2-ylbenzamide
CID 100635454
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-tert-butyl-5-methylbenzamide
CID 69131710
2-[(2S,3R)-3-amino-4-(3-chlorophenyl)-2-hydroxybutyl]-N-tert-butylpyridine-3-carboxamide
CID 66639462
N-[1-(2-fluorophenyl)propan-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 86830130
N-[(2-fluorophenyl)methyl]-2-propan-2-ylsulfanylpyridine-3-carboxamide
CID 46489598

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide?
The IUPAC name of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide (CID 72565285) is 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide is CC(C)NC(=O)c1cccnc1CC(O)C(N)Cc1ccccc1F.
What is the InChIKey of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide?
The InChIKey is YWDANMFKNSUMEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3O2/c1-12(2)23-19(25)14-7-5-9-22-17(14)11-18(24)16(21)10-13-6-3-4-8-15(13)20/h3-9,12,16,18,24H,10-11,21H2,1-2H3,(H,23,25).
What are the key properties of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide?
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide has a molecular weight of 345.42 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-propan-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 72565285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).