methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate

C11H17N3O4 — CID 171881890

IUPACmethyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(C(O)C(O)CCN)c1
InChIInChI=1S/C11H17N3O4/c1-18-11(17)6-4-7(10(13)14-5-6)9(16)8(15)2-3-12/h4-5,8-9,15-16H,2-3,12H2,1H3,(H2,13,14)
InChIKeyLNAKPMZHMKHZDK-UHFFFAOYSA-N
MW255.27 g/mol
LogP-0.81
Rot. Bonds5

About methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate

methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate (PubChem CID 171881890) has the molecular formula C11H17N3O4 and a molecular weight of 255.27 g/mol. Its IUPAC name is methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
PubChem CID171881890
Molecular FormulaC11H17N3O4
Molecular Weight255.27 g/mol
Exact Mass255.12
IUPAC Namemethyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(C(O)C(O)CCN)c1
InChIInChI=1S/C11H17N3O4/c1-18-11(17)6-4-7(10(13)14-5-6)9(16)8(15)2-3-12/h4-5,8-9,15-16H,2-3,12H2,1H3,(H2,13,14)
InChIKeyLNAKPMZHMKHZDK-UHFFFAOYSA-N
XLogP-0.81
TPSA131.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.27
LogP ≤ 5-0.81
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-amino-5-methoxycarbonyl-3-pyridinyl)-3,4-dihydroxybutanoic acid
CID 171878308
methyl 6-amino-5-[1,2-dihydroxy-4-[(2-methylpropan-2-yl)oxycarbonylamino]butyl]pyridine-3-carboxylate
CID 171885474
methyl 3-(4-amino-1,2-dihydroxybutyl)-4-fluorobenzoate
CID 171881807
methyl 3-amino-4-(4-amino-1,2-dihydroxybutyl)benzoate
CID 171881934
6-amino-5-(1,2-dihydroxy-4-methoxy-4-oxobutyl)pyridine-3-carboxylic acid
CID 171895967
methyl 2-amino-5-(4-amino-1,2-dihydroxybutyl)-4-chlorobenzoate
CID 171882423
methyl 6-chloro-5-[1,2-dihydroxy-3-(methylamino)propyl]pyridine-3-carboxylate
CID 171858607
6-amino-5-(4-azido-1,2-dihydroxybutyl)pyridine-3-carboxylic acid
CID 171879842
2-amino-5-methoxycarbonylpyridine-3-carboxylic acid
CID 130066862
methyl 2-amino-5-(1,2-dihydroxy-4-sulfanylbutyl)pyridine-3-carboxylate
CID 171874724
4-amino-1-(2-amino-4-methylpyrimidin-5-yl)butane-1,2-diol
CID 171881061
6-amino-5-(3-cyano-1,2-dihydroxypropyl)pyridine-3-carboxylic acid
CID 171901343

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate (CID 171881890) is methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate is COC(=O)c1cnc(N)c(C(O)C(O)CCN)c1.
What is the InChIKey of methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate?
The InChIKey is LNAKPMZHMKHZDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O4/c1-18-11(17)6-4-7(10(13)14-5-6)9(16)8(15)2-3-12/h4-5,8-9,15-16H,2-3,12H2,1H3,(H2,13,14).
What are the key properties of methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate?
methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate has a molecular weight of 255.27 g/mol, XLogP of -0.81, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-(4-amino-1,2-dihydroxybutyl)pyridine-3-carboxylate is sourced from PubChem (CID 171881890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).