methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate

C13H20N2O4 — CID 175187730

IUPACmethyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate
SMILESCOCc1cc(C(=O)OC)ncc1CNCC(C)O
InChIInChI=1S/C13H20N2O4/c1-9(16)5-14-6-11-7-15-12(13(17)19-3)4-10(11)8-18-2/h4,7,9,14,16H,5-6,8H2,1-3H3
InChIKeyVMWDYJNPMCMFCC-UHFFFAOYSA-N
MW268.31 g/mol
LogP0.49
Rot. Bonds7

About methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate

methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate (PubChem CID 175187730) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate
PubChem CID175187730
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Namemethyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate
SMILESCOCc1cc(C(=O)OC)ncc1CNCC(C)O
InChIInChI=1S/C13H20N2O4/c1-9(16)5-14-6-11-7-15-12(13(17)19-3)4-10(11)8-18-2/h4,7,9,14,16H,5-6,8H2,1-3H3
InChIKeyVMWDYJNPMCMFCC-UHFFFAOYSA-N
XLogP0.49
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate (CID 175187730) is methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate is COCc1cc(C(=O)OC)ncc1CNCC(C)O.
What is the InChIKey of methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate?
The InChIKey is VMWDYJNPMCMFCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-9(16)5-14-6-11-7-15-12(13(17)19-3)4-10(11)8-18-2/h4,7,9,14,16H,5-6,8H2,1-3H3.
What are the key properties of methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate?
methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate has a molecular weight of 268.31 g/mol, XLogP of 0.49, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-[(2-hydroxypropylamino)methyl]-4-(methoxymethyl)pyridine-2-carboxylate is sourced from PubChem (CID 175187730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).