methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate

C12H16N2O5 — CID 170830510

IUPACmethyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(O)C(O)CNC(C)=O)c1
InChIInChI=1S/C12H16N2O5/c1-7(15)14-6-10(16)11(17)8-3-9(5-13-4-8)12(18)19-2/h3-5,10-11,16-17H,6H2,1-2H3,(H,14,15)
InChIKeyPMOFKAQOUDJIAY-UHFFFAOYSA-N
MW268.27 g/mol
LogP-0.60
Rot. Bonds5

About methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate

methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate (PubChem CID 170830510) has the molecular formula C12H16N2O5 and a molecular weight of 268.27 g/mol. Its IUPAC name is methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
PubChem CID170830510
Molecular FormulaC12H16N2O5
Molecular Weight268.27 g/mol
Exact Mass268.11
IUPAC Namemethyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cncc(C(O)C(O)CNC(C)=O)c1
InChIInChI=1S/C12H16N2O5/c1-7(15)14-6-10(16)11(17)8-3-9(5-13-4-8)12(18)19-2/h3-5,10-11,16-17H,6H2,1-2H3,(H,14,15)
InChIKeyPMOFKAQOUDJIAY-UHFFFAOYSA-N
XLogP-0.60
TPSA108.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 5-0.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858393
methyl 5-(3-acetylsulfanyl-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170822386
N-[3-(5-bromo-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170831115
N-(2,3-dihydroxy-3-pyrimidin-5-ylpropyl)acetamide
CID 170829458
methyl 5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]pyridine-3-carboxylate
CID 170834625
N-[2,3-dihydroxy-3-[5-(trifluoromethyl)-3-pyridinyl]propyl]acetamide
CID 170830460
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171879917
N-[2,3-dihydroxy-3-(5-phenylmethoxy-3-pyridinyl)propyl]acetamide
CID 170831077
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-3-pyridinyl]ethanone
CID 170819990
methyl 3-(4-acetamido-1,2-dihydroxybutyl)-5-aminobenzoate
CID 171883730
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
N-[3-(5-amino-6-chloro-3-pyridinyl)-2,3-dihydroxypropyl]acetamide
CID 170829700

Frequently Asked Questions

What is the IUPAC name of methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate (CID 170830510) is methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate is COC(=O)c1cncc(C(O)C(O)CNC(C)=O)c1.
What is the InChIKey of methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate?
The InChIKey is PMOFKAQOUDJIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O5/c1-7(15)14-6-10(16)11(17)8-3-9(5-13-4-8)12(18)19-2/h3-5,10-11,16-17H,6H2,1-2H3,(H,14,15).
What are the key properties of methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate?
methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate has a molecular weight of 268.27 g/mol, XLogP of -0.60, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate is sourced from PubChem (CID 170830510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).