5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide

C12H15N3O3 — CID 125446782

IUPAC5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCNC2=O)c(O)cn1
InChIInChI=1S/C12H15N3O3/c1-7-5-8(10(16)6-14-7)11(17)15-9-3-2-4-13-12(9)18/h5-6,9,16H,2-4H2,1H3,(H,13,18)(H,15,17)/t9-/m0/s1
InChIKeyVWRXDPPUTFXVRT-VIFPVBQESA-N
MW249.27 g/mol
LogP0.10
Rot. Bonds2

About 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide

5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide (PubChem CID 125446782) has the molecular formula C12H15N3O3 and a molecular weight of 249.27 g/mol. Its IUPAC name is 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
PubChem CID125446782
Molecular FormulaC12H15N3O3
Molecular Weight249.27 g/mol
Exact Mass249.11
IUPAC Name5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N[C@H]2CCCNC2=O)c(O)cn1
InChIInChI=1S/C12H15N3O3/c1-7-5-8(10(16)6-14-7)11(17)15-9-3-2-4-13-12(9)18/h5-6,9,16H,2-4H2,1H3,(H,13,18)(H,15,17)/t9-/m0/s1
InChIKeyVWRXDPPUTFXVRT-VIFPVBQESA-N
XLogP0.10
TPSA91.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 50.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-(2-oxopiperidin-3-yl)-1H-pyrazole-4-carboxamide
CID 62192755
2-chloro-6-methyl-N-(2-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 113378415
1-N-[(3S)-2-oxopiperidin-3-yl]-2-N-[(3R)-2-oxopiperidin-3-yl]benzene-1,2-dicarboxamide
CID 26791100
2,3-dihydroxy-N-(2-oxopiperidin-3-yl)benzamide
CID 114344266
5-hydroxy-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 55258653
5-amino-2-methyl-N-(2-oxopiperidin-3-yl)benzamide;hydrochloride
CID 120626685
6-(methylamino)-N-(2-oxopiperidin-3-yl)pyridine-3-carboxamide
CID 62180415
2-chloro-N-(2-oxopiperidin-3-yl)benzamide
CID 47478270
5-tert-butyl-N-(2-oxopiperidin-3-yl)pyridine-2-carboxamide
CID 170175526
4-ethyl-N-(2-oxoazepan-3-yl)pyrimidine-5-carboxamide
CID 138992031
N-[(3R)-2-oxopiperidin-3-yl]benzo[f]quinoline-5-carboxamide
CID 95272465
5-amino-2-fluoro-N-(2-oxopiperidin-3-yl)benzamide
CID 55033252

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide?
The IUPAC name of 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide (CID 125446782) is 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide.
What is the SMILES notation for 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide?
The canonical SMILES for 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide is Cc1cc(C(=O)N[C@H]2CCCNC2=O)c(O)cn1.
What is the InChIKey of 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide?
The InChIKey is VWRXDPPUTFXVRT-VIFPVBQESA-N. The full InChI is InChI=1S/C12H15N3O3/c1-7-5-8(10(16)6-14-7)11(17)15-9-3-2-4-13-12(9)18/h5-6,9,16H,2-4H2,1H3,(H,13,18)(H,15,17)/t9-/m0/s1.
What are the key properties of 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide?
5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide has a molecular weight of 249.27 g/mol, XLogP of 0.10, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-methyl-N-[(3S)-2-oxopiperidin-3-yl]pyridine-4-carboxamide is sourced from PubChem (CID 125446782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).