N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide

C12H18N2O4 — CID 54993522

IUPACN-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cccnc1OC
InChIInChI=1S/C12H18N2O4/c1-14(7-9(15)8-17-2)12(16)10-5-4-6-13-11(10)18-3/h4-6,9,15H,7-8H2,1-3H3
InChIKeyNUZXCDVAECIYGV-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.17
Rot. Bonds6

About N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide

N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 54993522) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID54993522
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC NameN-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCOCC(O)CN(C)C(=O)c1cccnc1OC
InChIInChI=1S/C12H18N2O4/c1-14(7-9(15)8-17-2)12(16)10-5-4-6-13-11(10)18-3/h4-6,9,15H,7-8H2,1-3H3
InChIKeyNUZXCDVAECIYGV-UHFFFAOYSA-N
XLogP0.17
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide (CID 54993522) is N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide is COCC(O)CN(C)C(=O)c1cccnc1OC.
What is the InChIKey of N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is NUZXCDVAECIYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-14(7-9(15)8-17-2)12(16)10-5-4-6-13-11(10)18-3/h4-6,9,15H,7-8H2,1-3H3.
What are the key properties of N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide?
N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 254.29 g/mol, XLogP of 0.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-3-methoxypropyl)-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 54993522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).