N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide

C17H18FN3O3 — CID 71143193

IUPACN-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide
SMILESCC(NC(=O)c1ncc(-c2ccc(F)cc2)cc1O)C(=O)N(C)C
InChIInChI=1S/C17H18FN3O3/c1-10(17(24)21(2)3)20-16(23)15-14(22)8-12(9-19-15)11-4-6-13(18)7-5-11/h4-10,22H,1-3H3,(H,20,23)
InChIKeySUERJHUIYKJQMB-UHFFFAOYSA-N
MW331.35 g/mol
LogP1.80
Rot. Bonds4

About N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide

N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide (PubChem CID 71143193) has the molecular formula C17H18FN3O3 and a molecular weight of 331.35 g/mol. Its IUPAC name is N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide
PubChem CID71143193
Molecular FormulaC17H18FN3O3
Molecular Weight331.35 g/mol
Exact Mass331.13
IUPAC NameN-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide
SMILESCC(NC(=O)c1ncc(-c2ccc(F)cc2)cc1O)C(=O)N(C)C
InChIInChI=1S/C17H18FN3O3/c1-10(17(24)21(2)3)20-16(23)15-14(22)8-12(9-19-15)11-4-6-13(18)7-5-11/h4-10,22H,1-3H3,(H,20,23)
InChIKeySUERJHUIYKJQMB-UHFFFAOYSA-N
XLogP1.80
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide (CID 71143193) is N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide is CC(NC(=O)c1ncc(-c2ccc(F)cc2)cc1O)C(=O)N(C)C.
What is the InChIKey of N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide?
The InChIKey is SUERJHUIYKJQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN3O3/c1-10(17(24)21(2)3)20-16(23)15-14(22)8-12(9-19-15)11-4-6-13(18)7-5-11/h4-10,22H,1-3H3,(H,20,23).
What are the key properties of N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide?
N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide has a molecular weight of 331.35 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-1-oxopropan-2-yl]-5-(4-fluorophenyl)-3-hydroxypyridine-2-carboxamide is sourced from PubChem (CID 71143193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).