4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

C14H17N5O3 — CID 53258698

IUPAC4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESCC(=O)N1CCC(Nc2nc(=O)n(O)c3ncccc23)CC1
InChIInChI=1S/C14H17N5O3/c1-9(20)18-7-4-10(5-8-18)16-12-11-3-2-6-15-13(11)19(22)14(21)17-12/h2-3,6,10,22H,4-5,7-8H2,1H3,(H,16,17,21)
InChIKeyPLJRKKGQEJAXHX-UHFFFAOYSA-N
MW303.32 g/mol
LogP0.45
Rot. Bonds2

About 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (PubChem CID 53258698) has the molecular formula C14H17N5O3 and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
PubChem CID53258698
Molecular FormulaC14H17N5O3
Molecular Weight303.32 g/mol
Exact Mass303.13
IUPAC Name4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESCC(=O)N1CCC(Nc2nc(=O)n(O)c3ncccc23)CC1
InChIInChI=1S/C14H17N5O3/c1-9(20)18-7-4-10(5-8-18)16-12-11-3-2-6-15-13(11)19(22)14(21)17-12/h2-3,6,10,22H,4-5,7-8H2,1H3,(H,16,17,21)
InChIKeyPLJRKKGQEJAXHX-UHFFFAOYSA-N
XLogP0.45
TPSA100.35 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-[[1-(2-methoxyacetyl)piperidin-4-yl]amino]-1H-pyrido[2,3-d]pyrimidin-2-one
CID 123860239
1-hydroxy-4-[3-(2-methyl-3,4-dihydro-2H-azepin-6-yl)anilino]pyrido[2,3-d]pyrimidin-2-one
CID 123359644
2-[(1-acetylpiperidin-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 63616571
1-[4-[[2-(trifluoromethyl)-1,6-naphthyridin-5-yl]amino]piperidin-1-yl]ethanone
CID 24734928
1-[4-(1-pyridin-2-ylethylamino)piperidin-1-yl]ethanone
CID 43223671
1-[4-[(3-fluoro-2-pyridinyl)amino]piperidin-1-yl]-2,2-dimethylpropan-1-one
CID 172893481
1-[4-[(2-anilino-5-methylpyrimidin-4-yl)amino]piperidin-1-yl]ethanone
CID 123184963
4-[(1-acetylpiperidin-4-yl)amino]-2-phenyl-6,7-dihydro-5H-pyrido[3,4-d]pyrimidin-8-one
CID 171911640
1-[4-[[4-[[6-chloro-4-(1H-pyrrolo[2,3-b]pyridin-3-yl)-2-pyridinyl]amino]cyclohexyl]amino]piperidin-1-yl]ethanone
CID 87192364
1-hydroxy-4-(4-thiophen-2-ylanilino)pyrido[2,3-d]pyrimidin-2-one
CID 91664430
1-[4-(pyrimidin-2-ylamino)piperidin-1-yl]propan-1-one
CID 176934296
N,N-dimethyl-4-[(2-methyl-3-pyridinyl)amino]piperidine-1-carboxamide
CID 83261618

Frequently Asked Questions

What is the IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (CID 53258698) is 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is CC(=O)N1CCC(Nc2nc(=O)n(O)c3ncccc23)CC1.
What is the InChIKey of 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The InChIKey is PLJRKKGQEJAXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3/c1-9(20)18-7-4-10(5-8-18)16-12-11-3-2-6-15-13(11)19(22)14(21)17-12/h2-3,6,10,22H,4-5,7-8H2,1H3,(H,16,17,21).
What are the key properties of 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one has a molecular weight of 303.32 g/mol, XLogP of 0.45, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-acetylpiperidin-4-yl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 53258698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).