3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide

C19H22N2O4 — CID 126784533

IUPAC3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(COC2CCOCC2)cc1)c1ccncc1O
InChIInChI=1S/C19H22N2O4/c22-18-12-20-8-5-17(18)19(23)21-11-14-1-3-15(4-2-14)13-25-16-6-9-24-10-7-16/h1-5,8,12,16,22H,6-7,9-11,13H2,(H,21,23)
InChIKeyQFAPASPBMCNJLC-UHFFFAOYSA-N
MW342.40 g/mol
LogP2.41
Rot. Bonds6

About 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide

3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide (PubChem CID 126784533) has the molecular formula C19H22N2O4 and a molecular weight of 342.40 g/mol. Its IUPAC name is 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
PubChem CID126784533
Molecular FormulaC19H22N2O4
Molecular Weight342.40 g/mol
Exact Mass342.16
IUPAC Name3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCc1ccc(COC2CCOCC2)cc1)c1ccncc1O
InChIInChI=1S/C19H22N2O4/c22-18-12-20-8-5-17(18)19(23)21-11-14-1-3-15(4-2-14)13-25-16-6-9-24-10-7-16/h1-5,8,12,16,22H,6-7,9-11,13H2,(H,21,23)
InChIKeyQFAPASPBMCNJLC-UHFFFAOYSA-N
XLogP2.41
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120695954
5-[[4-(oxan-4-yloxymethyl)phenyl]methylcarbamoyl]thiophene-2-carboxylic acid
CID 120695960
4-[[[2-(oxan-4-yloxymethyl)benzoyl]amino]methyl]benzoic acid
CID 119353331
4-[[[4-(oxan-4-yloxymethyl)phenyl]methylamino]methyl]benzoic acid
CID 122032102
N-[(6-imidazol-1-yl-3-pyridinyl)methyl]-2-(oxan-4-yloxymethyl)benzamide
CID 136515901
3-hydroxy-N-[(1-methylpyrrol-3-yl)methyl]pyridine-4-carboxamide
CID 113257065
2-[4-(oxan-4-yloxymethyl)phenyl]acetic acid
CID 105344934
1-(1-cyclobutylethyl)-3-[[4-(oxan-4-yloxymethyl)phenyl]methyl]urea
CID 84590236
3-fluoro-N-[(4-hydroxyphenyl)methyl]pyridine-4-carboxamide
CID 113241006
(2S,4S)-2-methyl-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]piperidine-4-carboxamide
CID 120639837
N-[2-(cyclopropanecarbonylamino)ethyl]-3-hydroxypyridine-4-carboxamide
CID 113257034
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide (CID 126784533) is 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide is O=C(NCc1ccc(COC2CCOCC2)cc1)c1ccncc1O.
What is the InChIKey of 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide?
The InChIKey is QFAPASPBMCNJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4/c22-18-12-20-8-5-17(18)19(23)21-11-14-1-3-15(4-2-14)13-25-16-6-9-24-10-7-16/h1-5,8,12,16,22H,6-7,9-11,13H2,(H,21,23).
What are the key properties of 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide?
3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-N-[[4-(oxan-4-yloxymethyl)phenyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 126784533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).