5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide

C17H18N4O4 — CID 167743733

IUPAC5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCN1C(=O)c1cncc(O)c1)C(=O)c1cncc(O)c1
InChIInChI=1S/C17H18N4O4/c1-20(16(24)11-4-14(22)8-18-6-11)10-13-2-3-21(13)17(25)12-5-15(23)9-19-7-12/h4-9,13,22-23H,2-3,10H2,1H3
InChIKeyVCDVLIVIAFPIPI-UHFFFAOYSA-N
MW342.36 g/mol
LogP0.87
Rot. Bonds4

About 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide

5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide (PubChem CID 167743733) has the molecular formula C17H18N4O4 and a molecular weight of 342.36 g/mol. Its IUPAC name is 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
PubChem CID167743733
Molecular FormulaC17H18N4O4
Molecular Weight342.36 g/mol
Exact Mass342.13
IUPAC Name5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC1CCN1C(=O)c1cncc(O)c1)C(=O)c1cncc(O)c1
InChIInChI=1S/C17H18N4O4/c1-20(16(24)11-4-14(22)8-18-6-11)10-13-2-3-21(13)17(25)12-5-15(23)9-19-7-12/h4-9,13,22-23H,2-3,10H2,1H3
InChIKeyVCDVLIVIAFPIPI-UHFFFAOYSA-N
XLogP0.87
TPSA106.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[(dimethylamino)methyl]piperidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63859263
N-[[(2S)-1-(5-hydroxypyridine-3-carbonyl)pyrrolidin-2-yl]methyl]-N-methyl-1H-pyrrolo[3,2-c]pyridine-4-carboxamide
CID 167965095
[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 66057048
[3-(dimethylamino)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 63858593
[2-(aminomethyl)pyrrolidin-1-yl]-(5-hydroxy-3-pyridinyl)methanone
CID 115312082
1-(5-hydroxypyridine-3-carbonyl)-N,N-dimethylpyrrolidine-2-carboxamide
CID 63859028
(3-ethylmorpholin-4-yl)-(5-hydroxy-3-pyridinyl)methanone
CID 55257874
2,3,3a,4,5,6,7,7a-octahydroindol-1-yl-(5-hydroxy-3-pyridinyl)methanone
CID 78954237
N-cyclopropyl-5-hydroxy-N-methylpyridine-3-carboxamide
CID 63865500
3,9-diazabicyclo[4.2.1]nonan-3-yl-(5-hydroxy-3-pyridinyl)methanone
CID 115313946
5-hydroxy-N-[(2R)-2-hydroxypropyl]-N-methylpyridine-3-carboxamide
CID 167850128
(5-hydroxy-3-pyridinyl)-(4-propan-2-ylpiperidin-1-yl)methanone
CID 103711801

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide (CID 167743733) is 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide is CN(CC1CCN1C(=O)c1cncc(O)c1)C(=O)c1cncc(O)c1.
What is the InChIKey of 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is VCDVLIVIAFPIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O4/c1-20(16(24)11-4-14(22)8-18-6-11)10-13-2-3-21(13)17(25)12-5-15(23)9-19-7-12/h4-9,13,22-23H,2-3,10H2,1H3.
What are the key properties of 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide?
5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 342.36 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[[1-(5-hydroxypyridine-3-carbonyl)azetidin-2-yl]methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 167743733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).