benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate

C17H21N3O5 — CID 171855924

IUPACbenzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1nc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1N
InChIInChI=1S/C17H21N3O5/c1-24-16-12(18)7-8-13(20-16)15(22)14(21)9-19-17(23)25-10-11-5-3-2-4-6-11/h2-8,14-15,21-22H,9-10,18H2,1H3,(H,19,23)
InChIKeyBOXUOCDFLMHUJS-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.99
Rot. Bonds7

About benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate

benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855924) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855924
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Namebenzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1nc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1N
InChIInChI=1S/C17H21N3O5/c1-24-16-12(18)7-8-13(20-16)15(22)14(21)9-19-17(23)25-10-11-5-3-2-4-6-11/h2-8,14-15,21-22H,9-10,18H2,1H3,(H,19,23)
InChIKeyBOXUOCDFLMHUJS-UHFFFAOYSA-N
XLogP0.99
TPSA126.93 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 50.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855925
benzyl N-[2,3-dihydroxy-3-[6-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855706
benzyl N-[2,3-dihydroxy-3-[4-(hydroxymethyl)-2-pyridinyl]propyl]carbamate
CID 171855701
benzyl N-[3-(2-amino-5-ethylphenyl)-2,3-dihydroxypropyl]carbamate
CID 171855969
benzyl N-[3-(5-amino-2-methoxyphenyl)-2,3-dihydroxypropyl]carbamate
CID 171856050
benzyl N-[3-(5-ethylfuran-2-yl)-2,3-dihydroxypropyl]carbamate
CID 171857346
benzyl N-[3-(2-amino-5-fluorophenyl)-2,3-dihydroxypropyl]carbamate
CID 171855626
3-amino-4-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]benzoic acid
CID 171856383
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
benzyl N-[2,3-dihydroxy-3-(2-hydroxyphenyl)propyl]carbamate
CID 171855358
benzyl N-[2,3-dihydroxy-3-(4-methoxynaphthalen-1-yl)propyl]carbamate
CID 171856731
methyl 5-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]furan-2-carboxylate
CID 171855884

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 171855924) is benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is COc1nc(C(O)C(O)CNC(=O)OCc2ccccc2)ccc1N.
What is the InChIKey of benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is BOXUOCDFLMHUJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-24-16-12(18)7-8-13(20-16)15(22)14(21)9-19-17(23)25-10-11-5-3-2-4-6-11/h2-8,14-15,21-22H,9-10,18H2,1H3,(H,19,23).
What are the key properties of benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate has a molecular weight of 347.37 g/mol, XLogP of 0.99, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[3-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).