N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide

C17H20N2O4 — CID 51094308

IUPACN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(COCC(O)CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H20N2O4/c1-22-16-6-4-13(5-7-16)11-23-12-15(20)10-19-17(21)14-3-2-8-18-9-14/h2-9,15,20H,10-12H2,1H3,(H,19,21)
InChIKeyHRQBVUPZVQTRTB-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.40
Rot. Bonds8

About N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide

N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide (PubChem CID 51094308) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
PubChem CID51094308
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC NameN-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide
SMILESCOc1ccc(COCC(O)CNC(=O)c2cccnc2)cc1
InChIInChI=1S/C17H20N2O4/c1-22-16-6-4-13(5-7-16)11-23-12-15(20)10-19-17(21)14-3-2-8-18-9-14/h2-9,15,20H,10-12H2,1H3,(H,19,21)
InChIKeyHRQBVUPZVQTRTB-UHFFFAOYSA-N
XLogP1.40
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethyl-N-[(2S)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]benzamide
CID 95344832
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-3-carboxamide
CID 47178927
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-5-methylpyrazine-2-carboxamide
CID 94815352
N-[2-(4-methoxyphenyl)-3-pyridin-3-ylpropyl]pyridine-3-carboxamide
CID 110361132
N-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2-(4-methylphenyl)acetamide
CID 94814604
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-2,5-dimethoxybenzamide
CID 51126519
N-[2-[(4-methoxyphenyl)methylamino]ethyl]pyridine-3-carboxamide
CID 4238549
1-[(2R)-2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]-3-(2-methoxyethyl)urea
CID 95158318
N-[3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]pyridine-3-carboxamide
CID 56757268
methyl 2-hydroxy-3-(pyridine-3-carbonylamino)propanoate
CID 103879213
N-[(2R)-2-hydroxy-3-[(1S)-1-phenylethoxy]propyl]pyridine-3-carboxamide
CID 96538610
N-[(2S)-2-hydroxypropyl]pyridine-3-carboxamide
CID 39237258

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide (CID 51094308) is N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide is COc1ccc(COCC(O)CNC(=O)c2cccnc2)cc1.
What is the InChIKey of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide?
The InChIKey is HRQBVUPZVQTRTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-22-16-6-4-13(5-7-16)11-23-12-15(20)10-19-17(21)14-3-2-8-18-9-14/h2-9,15,20H,10-12H2,1H3,(H,19,21).
What are the key properties of N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide?
N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide has a molecular weight of 316.36 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-[(4-methoxyphenyl)methoxy]propyl]pyridine-3-carboxamide is sourced from PubChem (CID 51094308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).