benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate

C17H20N2O5 — CID 171855701

IUPACbenzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cc(CO)ccn1)OCc1ccccc1
InChIInChI=1S/C17H20N2O5/c20-10-13-6-7-18-14(8-13)16(22)15(21)9-19-17(23)24-11-12-4-2-1-3-5-12/h1-8,15-16,20-22H,9-11H2,(H,19,23)
InChIKeyOPQJRMMUILLGMC-UHFFFAOYSA-N
MW332.36 g/mol
LogP0.89
Rot. Bonds7

About benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate

benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate (PubChem CID 171855701) has the molecular formula C17H20N2O5 and a molecular weight of 332.36 g/mol. Its IUPAC name is benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
PubChem CID171855701
Molecular FormulaC17H20N2O5
Molecular Weight332.36 g/mol
Exact Mass332.14
IUPAC Namebenzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
SMILESO=C(NCC(O)C(O)c1cc(CO)ccn1)OCc1ccccc1
InChIInChI=1S/C17H20N2O5/c20-10-13-6-7-18-14(8-13)16(22)15(21)9-19-17(23)24-11-12-4-2-1-3-5-12/h1-8,15-16,20-22H,9-11H2,(H,19,23)
InChIKeyOPQJRMMUILLGMC-UHFFFAOYSA-N
XLogP0.89
TPSA111.91 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 50.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

benzyl N-[2,3-dihydroxy-3-[6-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855706
benzyl N-[3-(2,4-dichloro-3-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855676
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
benzyl N-[2,3-dihydroxy-3-(1H-pyrazolo[3,4-c]pyridin-5-yl)propyl]carbamate
CID 171856101
benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855595
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]-3-fluoropyridine-4-carboxylic acid
CID 171856350
benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855924
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[3-[4-(hydroxymethyl)-2-pyridinyl]prop-2-enyl]carbamate
CID 169471365
benzyl N-(2,3-dihydroxy-3-quinolin-7-ylpropyl)carbamate
CID 171856144
benzyl N-[3-(2-fluoro-4-hydroxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171857228
benzyl N-[2,3-dihydroxy-3-(3-phenylmethoxyphenyl)propyl]carbamate
CID 171856933

Frequently Asked Questions

What is the IUPAC name of benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate?
The IUPAC name of benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate (CID 171855701) is benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate.
What is the SMILES notation for benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate?
The canonical SMILES for benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate is O=C(NCC(O)C(O)c1cc(CO)ccn1)OCc1ccccc1.
What is the InChIKey of benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate?
The InChIKey is OPQJRMMUILLGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5/c20-10-13-6-7-18-14(8-13)16(22)15(21)9-19-17(23)24-11-12-4-2-1-3-5-12/h1-8,15-16,20-22H,9-11H2,(H,19,23).
What are the key properties of benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate?
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate has a molecular weight of 332.36 g/mol, XLogP of 0.89, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate is sourced from PubChem (CID 171855701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).