methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate

C11H16N2O4 — CID 171858393

IUPACmethyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
SMILESCNCC(O)C(O)c1cncc(C(=O)OC)c1
InChIInChI=1S/C11H16N2O4/c1-12-6-9(14)10(15)7-3-8(5-13-4-7)11(16)17-2/h3-5,9-10,12,14-15H,6H2,1-2H3
InChIKeyYIZOCTYJFBDHJG-UHFFFAOYSA-N
MW240.26 g/mol
LogP-0.52
Rot. Bonds5

About methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate

methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate (PubChem CID 171858393) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
PubChem CID171858393
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
SMILESCNCC(O)C(O)c1cncc(C(=O)OC)c1
InChIInChI=1S/C11H16N2O4/c1-12-6-9(14)10(15)7-3-8(5-13-4-7)11(16)17-2/h3-5,9-10,12,14-15H,6H2,1-2H3
InChIKeyYIZOCTYJFBDHJG-UHFFFAOYSA-N
XLogP-0.52
TPSA91.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 5-(3-acetamido-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170830510
methyl 5-(3-acetylsulfanyl-1,2-dihydroxypropyl)pyridine-3-carboxylate
CID 170822386
methyl 3-amino-5-[1,2-dihydroxy-3-(methylamino)propyl]benzoate
CID 171858622
methyl 5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylate
CID 171879917
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyrimidine-2-carboxylate
CID 171858316
methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858607
methyl 5-[3-(9H-fluoren-9-ylmethoxycarbonylamino)-1,2-dihydroxypropyl]pyridine-3-carboxylate
CID 170834625
dimethyl pyridine-3,5-dicarboxylate;hydrochloride
CID 67354449
methyl 3-[1,2-dihydroxy-3-(methylamino)propyl]-4-methylbenzoate
CID 171858509
1-[5-(1,2-dihydroxy-3-sulfanylpropyl)-3-pyridinyl]ethanone
CID 170819990
methyl 5-ethylpyridine-3-carboxylate
CID 5323747
5-(1,2,3-trihydroxypropyl)pyridine-3-carboxylic acid
CID 170817946

Frequently Asked Questions

What is the IUPAC name of methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate?
The IUPAC name of methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate (CID 171858393) is methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate is CNCC(O)C(O)c1cncc(C(=O)OC)c1.
What is the InChIKey of methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate?
The InChIKey is YIZOCTYJFBDHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-12-6-9(14)10(15)7-3-8(5-13-4-7)11(16)17-2/h3-5,9-10,12,14-15H,6H2,1-2H3.
What are the key properties of methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate?
methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate has a molecular weight of 240.26 g/mol, XLogP of -0.52, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate is sourced from PubChem (CID 171858393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).