benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate

C17H19ClN2O5 — CID 171888191

IUPACbenzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate
SMILESO=C(NCCC(O)C(O)c1cc(Cl)c[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C17H19ClN2O5/c18-12-8-13(16(23)20-9-12)15(22)14(21)6-7-19-17(24)25-10-11-4-2-1-3-5-11/h1-5,8-9,14-15,21-22H,6-7,10H2,(H,19,24)(H,20,23)
InChIKeyXECVXCFXWGVPKY-UHFFFAOYSA-N
MW366.80 g/mol
LogP1.74
Rot. Bonds7

About benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate

benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate (PubChem CID 171888191) has the molecular formula C17H19ClN2O5 and a molecular weight of 366.80 g/mol. Its IUPAC name is benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate
PubChem CID171888191
Molecular FormulaC17H19ClN2O5
Molecular Weight366.80 g/mol
Exact Mass366.10
IUPAC Namebenzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate
SMILESO=C(NCCC(O)C(O)c1cc(Cl)c[nH]c1=O)OCc1ccccc1
InChIInChI=1S/C17H19ClN2O5/c18-12-8-13(16(23)20-9-12)15(22)14(21)6-7-19-17(24)25-10-11-4-2-1-3-5-11/h1-5,8-9,14-15,21-22H,6-7,10H2,(H,19,24)(H,20,23)
InChIKeyXECVXCFXWGVPKY-UHFFFAOYSA-N
XLogP1.74
TPSA111.65 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.80
LogP ≤ 51.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

benzyl N-[4-(2,5-dichlorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171887986
benzyl N-[4-[5-chloro-2-(trifluoromethyl)phenyl]-3,4-dihydroxybutyl]carbamate
CID 171888943
benzyl N-[4-(6-amino-4-chloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171888074
benzyl N-[4-(5-amino-2-chloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171888075
benzyl N-[4-(4-chloro-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171887900
benzyl N-[4-(6-chloro-2-methyl-3-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171888127
benzyl N-[4-(5-chloro-2-fluoro-4-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171889528
benzyl N-[4-(4-chloro-3,5-difluorophenyl)-3,4-dihydroxybutyl]carbamate
CID 171888251
benzyl N-[4-(5-chloro-2-pyridinyl)-3,4-dihydroxybutyl]carbamate
CID 171887897
4-amino-3-[1,2-dihydroxy-4-(phenylmethoxycarbonylamino)butyl]benzoic acid
CID 171888884
benzyl N-[4-(3-chloro-4-methylphenyl)-3,4-dihydroxybutyl]carbamate
CID 171887966
benzyl N-[4-(2-amino-5-bromophenyl)-3,4-dihydroxybutyl]carbamate
CID 171889522

Frequently Asked Questions

What is the IUPAC name of benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate?
The IUPAC name of benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate (CID 171888191) is benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate.
What is the SMILES notation for benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate?
The canonical SMILES for benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate is O=C(NCCC(O)C(O)c1cc(Cl)c[nH]c1=O)OCc1ccccc1.
What is the InChIKey of benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate?
The InChIKey is XECVXCFXWGVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O5/c18-12-8-13(16(23)20-9-12)15(22)14(21)6-7-19-17(24)25-10-11-4-2-1-3-5-11/h1-5,8-9,14-15,21-22H,6-7,10H2,(H,19,24)(H,20,23).
What are the key properties of benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate?
benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate has a molecular weight of 366.80 g/mol, XLogP of 1.74, 7 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[4-(5-chloro-2-oxo-1H-pyridin-3-yl)-3,4-dihydroxybutyl]carbamate is sourced from PubChem (CID 171888191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).