N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide

C17H19ClN2O4 — CID 99928759

IUPACN-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NC[C@@H](O)COc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C17H19ClN2O4/c1-2-20-8-7-12(9-16(20)22)17(23)19-10-14(21)11-24-15-5-3-13(18)4-6-15/h3-9,14,21H,2,10-11H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyIIVIGSOFEPIEKE-CQSZACIVSA-N
MW350.80 g/mol
LogP1.69
Rot. Bonds7

About N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide

N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide (PubChem CID 99928759) has the molecular formula C17H19ClN2O4 and a molecular weight of 350.80 g/mol. Its IUPAC name is N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide
PubChem CID99928759
Molecular FormulaC17H19ClN2O4
Molecular Weight350.80 g/mol
Exact Mass350.10
IUPAC NameN-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide
SMILESCCn1ccc(C(=O)NC[C@@H](O)COc2ccc(Cl)cc2)cc1=O
InChIInChI=1S/C17H19ClN2O4/c1-2-20-8-7-12(9-16(20)22)17(23)19-10-14(21)11-24-15-5-3-13(18)4-6-15/h3-9,14,21H,2,10-11H2,1H3,(H,19,23)/t14-/m1/s1
InChIKeyIIVIGSOFEPIEKE-CQSZACIVSA-N
XLogP1.69
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.80
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-(4-chlorophenoxy)-2-hydroxypropyl]urea
CID 14685227
N-[2-[di(propan-2-yl)amino]ethyl]-1-ethyl-2-oxopyridine-4-carboxamide
CID 77097796
3-(dimethylamino)-N-[(2S)-3-(4-fluorophenoxy)-2-hydroxypropyl]benzamide
CID 95180097
(4-chlorophenyl)-[4-[2-hydroxy-3-(propan-2-ylamino)propoxy]phenyl]methanone
CID 70524382
3-fluoro-N-[3-(4-fluorophenoxy)-2-hydroxypropyl]-5-methylbenzamide
CID 111477313
4-chloro-N-[2-hydroxy-3-(2-methylphenoxy)propyl]benzamide
CID 84567072
4-chloro-N-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]benzamide
CID 7324383
N-[3-(3,4-difluorophenoxy)-2-hydroxypropyl]-4-hydroxy-3-methoxybenzamide
CID 167969333
4-chloro-N-[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]benzamide
CID 166959386
1-[4-[3-(4-chlorophenoxy)-2-hydroxypropoxy]phenyl]ethanone
CID 11255678
N-[(2R)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-4-methoxybenzamide
CID 7276796
1-(4-chlorophenoxy)-3-(1-ethylimidazol-2-yl)propan-2-ol
CID 105112243

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide (CID 99928759) is N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide is CCn1ccc(C(=O)NC[C@@H](O)COc2ccc(Cl)cc2)cc1=O.
What is the InChIKey of N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide?
The InChIKey is IIVIGSOFEPIEKE-CQSZACIVSA-N. The full InChI is InChI=1S/C17H19ClN2O4/c1-2-20-8-7-12(9-16(20)22)17(23)19-10-14(21)11-24-15-5-3-13(18)4-6-15/h3-9,14,21H,2,10-11H2,1H3,(H,19,23)/t14-/m1/s1.
What are the key properties of N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide?
N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide has a molecular weight of 350.80 g/mol, XLogP of 1.69, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-3-(4-chlorophenoxy)-2-hydroxypropyl]-1-ethyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 99928759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).