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

C17H21N3O5 — CID 171855925

IUPACbenzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ccc(N)c(C(O)C(O)CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C17H21N3O5/c1-24-14-8-7-12(18)15(20-14)16(22)13(21)9-19-17(23)25-10-11-5-3-2-4-6-11/h2-8,13,16,21-22H,9-10,18H2,1H3,(H,19,23)
InChIKeyACTPASMZBQDXED-UHFFFAOYSA-N
MW347.37 g/mol
LogP0.99
Rot. Bonds7

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

benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (PubChem CID 171855925) has the molecular formula C17H21N3O5 and a molecular weight of 347.37 g/mol. Its IUPAC name is benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
PubChem CID171855925
Molecular FormulaC17H21N3O5
Molecular Weight347.37 g/mol
Exact Mass347.15
IUPAC Namebenzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
SMILESCOc1ccc(N)c(C(O)C(O)CNC(=O)OCc2ccccc2)n1
InChIInChI=1S/C17H21N3O5/c1-24-14-8-7-12(18)15(20-14)16(22)13(21)9-19-17(23)25-10-11-5-3-2-4-6-11/h2-8,13,16,21-22H,9-10,18H2,1H3,(H,19,23)
InChIKeyACTPASMZBQDXED-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-(5-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855924
benzyl N-[3-(3-amino-4-methyl-2-pyridinyl)-2,3-dihydroxypropyl]carbamate
CID 171855595
benzyl N-[2,3-dihydroxy-3-(2-methyl-5-nitro-1H-imidazol-4-yl)propyl]carbamate
CID 171856062
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-[2,3-dihydroxy-3-(5-methoxy-2-methylphenyl)propyl]carbamate
CID 171855851
2-[1,2-dihydroxy-3-(phenylmethoxycarbonylamino)propyl]pyridine-3-carboxylic acid
CID 171856017
benzyl N-[2,3-dihydroxy-3-(3,4,5-trimethoxyphenyl)propyl]carbamate
CID 171856816
benzyl N-[2,3-dihydroxy-3-(4-methyl-3-pyridinyl)propyl]carbamate
CID 171855417
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

Frequently Asked Questions

What is the IUPAC name of benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The IUPAC name of benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate (CID 171855925) is benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate.
What is the SMILES notation for benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The canonical SMILES for benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is COc1ccc(N)c(C(O)C(O)CNC(=O)OCc2ccccc2)n1.
What is the InChIKey of benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
The InChIKey is ACTPASMZBQDXED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O5/c1-24-14-8-7-12(18)15(20-14)16(22)13(21)9-19-17(23)25-10-11-5-3-2-4-6-11/h2-8,13,16,21-22H,9-10,18H2,1H3,(H,19,23).
What are the key properties of benzyl N-[3-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate?
benzyl N-[3-(3-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-(3-amino-6-methoxy-2-pyridinyl)-2,3-dihydroxypropyl]carbamate is sourced from PubChem (CID 171855925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).