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

C19H22FN3O2 — CID 72565304

IUPAC2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide
SMILESNC(Cc1ccccc1F)C(O)Cc1ncccc1C(=O)NC1CC1
InChIInChI=1S/C19H22FN3O2/c20-15-6-2-1-4-12(15)10-16(21)18(24)11-17-14(5-3-9-22-17)19(25)23-13-7-8-13/h1-6,9,13,16,18,24H,7-8,10-11,21H2,(H,23,25)
InChIKeyNGRVUJADHLJHRF-UHFFFAOYSA-N
MW343.40 g/mol
LogP1.59
Rot. Bonds7

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

2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide (PubChem CID 72565304) has the molecular formula C19H22FN3O2 and a molecular weight of 343.40 g/mol. Its IUPAC name is 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide
PubChem CID72565304
Molecular FormulaC19H22FN3O2
Molecular Weight343.40 g/mol
Exact Mass343.17
IUPAC Name2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide
SMILESNC(Cc1ccccc1F)C(O)Cc1ncccc1C(=O)NC1CC1
InChIInChI=1S/C19H22FN3O2/c20-15-6-2-1-4-12(15)10-16(21)18(24)11-17-14(5-3-9-22-17)19(25)23-13-7-8-13/h1-6,9,13,16,18,24H,7-8,10-11,21H2,(H,23,25)
InChIKeyNGRVUJADHLJHRF-UHFFFAOYSA-N
XLogP1.59
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062
N-cyclopropyl-2,3-difluorobenzamide
CID 62648987
2-[(2-fluorophenyl)methoxy]-N-[(3R)-oxolan-3-yl]pyridine-3-carboxamide
CID 124850619
N-(4-ethylcyclohexyl)-2-fluoropyridine-3-carboxamide
CID 114037667
N-cyclopropyl-2-[3-(2-fluorophenyl)propanoylamino]benzamide
CID 29353155
2-[[1-[2-(2-fluorophenyl)acetyl]piperidin-4-yl]carbamoyl]benzoic acid
CID 113083201
N-cyclopropyl-2-methylsulfanylpyridine-3-carboxamide
CID 26736800
2-fluoro-N-[1-(pyridine-2-carbonyl)piperidin-4-yl]benzamide
CID 110821143
N-cyclopropyl-5-[2-(2-fluorophenyl)ethylamino]pyrazine-2-carboxamide
CID 109271592

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide?
The IUPAC name of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide (CID 72565304) is 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide.
What is the SMILES notation for 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide?
The canonical SMILES for 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide is NC(Cc1ccccc1F)C(O)Cc1ncccc1C(=O)NC1CC1.
What is the InChIKey of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide?
The InChIKey is NGRVUJADHLJHRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O2/c20-15-6-2-1-4-12(15)10-16(21)18(24)11-17-14(5-3-9-22-17)19(25)23-13-7-8-13/h1-6,9,13,16,18,24H,7-8,10-11,21H2,(H,23,25).
What are the key properties of 2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide?
2-[3-amino-4-(2-fluorophenyl)-2-hydroxybutyl]-N-cyclopropylpyridine-3-carboxamide has a molecular weight of 343.40 g/mol, XLogP of 1.59, 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-cyclopropylpyridine-3-carboxamide is sourced from PubChem (CID 72565304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).