6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide

C20H20N4O4 — CID 170574535

IUPAC6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide
SMILESCCN(C)C(=O)[C@H](O)c1cc(-c2cccc(-c3cccc(C(N)=O)n3)c2)on1
InChIInChI=1S/C20H20N4O4/c1-3-24(2)20(27)18(25)16-11-17(28-23-16)13-7-4-6-12(10-13)14-8-5-9-15(22-14)19(21)26/h4-11,18,25H,3H2,1-2H3,(H2,21,26)/t18-/m1/s1
InChIKeyQBGISYAGHZPQNG-GOSISDBHSA-N
MW380.40 g/mol
LogP2.01
Rot. Bonds6

About 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide

6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide (PubChem CID 170574535) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide
PubChem CID170574535
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide
SMILESCCN(C)C(=O)[C@H](O)c1cc(-c2cccc(-c3cccc(C(N)=O)n3)c2)on1
InChIInChI=1S/C20H20N4O4/c1-3-24(2)20(27)18(25)16-11-17(28-23-16)13-7-4-6-12(10-13)14-8-5-9-15(22-14)19(21)26/h4-11,18,25H,3H2,1-2H3,(H2,21,26)/t18-/m1/s1
InChIKeyQBGISYAGHZPQNG-GOSISDBHSA-N
XLogP2.01
TPSA122.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 102340613
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CID 164628117
N,N-dicyclohexyl-5-(3-methylphenyl)-1,2-oxazole-3-carboxamide
CID 57339499
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CID 144793574
3-[3-(1-aminocyclobutyl)-1,2,4-oxadiazol-5-yl]-N-ethyl-N-methylbenzamide
CID 120862262
6-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]indol-5-yl]pyridine-2-carboxamide
CID 118414266
ethyl 5-(3-methoxyphenyl)-1,2-oxazole-3-carboxylate
CID 53439047
N,N-dimethyl-6-[3-(1-pyrrolidin-1-ylethyl)phenyl]pyridine-2-carboxamide
CID 77092102
3-[2-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]oxynaphthalen-1-yl]benzamide
CID 175644472
(1S)-1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanol;1-[5-(3-chlorophenyl)-1,2-oxazol-3-yl]ethanone
CID 158318961

Frequently Asked Questions

What is the IUPAC name of 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide (CID 170574535) is 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide is CCN(C)C(=O)[C@H](O)c1cc(-c2cccc(-c3cccc(C(N)=O)n3)c2)on1.
What is the InChIKey of 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is QBGISYAGHZPQNG-GOSISDBHSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-3-24(2)20(27)18(25)16-11-17(28-23-16)13-7-4-6-12(10-13)14-8-5-9-15(22-14)19(21)26/h4-11,18,25H,3H2,1-2H3,(H2,21,26)/t18-/m1/s1.
What are the key properties of 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide?
6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[3-[(1R)-2-[ethyl(methyl)amino]-1-hydroxy-2-oxoethyl]-1,2-oxazol-5-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 170574535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).