4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one

C15H14N4O2 — CID 53258701

IUPAC4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESCN(Cc1ccccc1)c1nc(=O)n(O)c2ncccc12
InChIInChI=1S/C15H14N4O2/c1-18(10-11-6-3-2-4-7-11)14-12-8-5-9-16-13(12)19(21)15(20)17-14/h2-9,21H,10H2,1H3
InChIKeyUTKJKSZYYLIAPI-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.67
Rot. Bonds3

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

4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (PubChem CID 53258701) has the molecular formula C15H14N4O2 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
PubChem CID53258701
Molecular FormulaC15H14N4O2
Molecular Weight282.30 g/mol
Exact Mass282.11
IUPAC Name4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
SMILESCN(Cc1ccccc1)c1nc(=O)n(O)c2ncccc12
InChIInChI=1S/C15H14N4O2/c1-18(10-11-6-3-2-4-7-11)14-12-8-5-9-16-13(12)19(21)15(20)17-14/h2-9,21H,10H2,1H3
InChIKeyUTKJKSZYYLIAPI-UHFFFAOYSA-N
XLogP1.67
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

benzyl-[[(2R)-1-(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]carbamic acid
CID 67252815
4-[4-(dimethylamino)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079085
4-[2-(aminomethyl)anilino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one
CID 154079084
1-hydroxy-4-[(3-pyridin-4-ylphenyl)methylamino]pyrido[2,3-d]pyrimidin-2-one
CID 67251968
8-hydroxy-6,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5,10,12-hexaene
CID 18737197
7-[benzyl(methyl)amino]-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 146559407
N-benzyl-N-methyl-2-pyridin-3-ylquinazolin-4-amine
CID 7765679
N-benzyl-N,3-dimethylpyrazin-2-amine;ethane
CID 145242073
N-benzyl-2-hydrazinyl-N-methylquinazolin-4-amine
CID 80909730
N'-[[2-[benzyl(methyl)amino]-3-pyridinyl]methyl]oxamide
CID 56738405
methyl 1-[benzyl(methyl)amino]isoquinoline-4-carboxylate
CID 22581196
4-[3-[[(1-hydroxy-2-oxopyrido[2,3-d]pyrimidin-4-yl)amino]methyl]phenyl]-N-phenylbenzamide
CID 67253188

Frequently Asked Questions

What is the IUPAC name of 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The IUPAC name of 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one (CID 53258701) is 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one.
What is the SMILES notation for 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The canonical SMILES for 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is CN(Cc1ccccc1)c1nc(=O)n(O)c2ncccc12.
What is the InChIKey of 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
The InChIKey is UTKJKSZYYLIAPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O2/c1-18(10-11-6-3-2-4-7-11)14-12-8-5-9-16-13(12)19(21)15(20)17-14/h2-9,21H,10H2,1H3.
What are the key properties of 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one?
4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one has a molecular weight of 282.30 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[benzyl(methyl)amino]-1-hydroxypyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 53258701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).