1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide

C14H16N4O5 — CID 167915084

IUPAC1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2cn(O)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C14H16N4O5/c1-8(2)7-23-11-4-3-9(5-15-11)16-12(19)10-6-18(22)14(21)17-13(10)20/h3-6,8,22H,7H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyAGKZDXBHSUFKKH-UHFFFAOYSA-N
MW320.31 g/mol
LogP0.46
Rot. Bonds5

About 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide

1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 167915084) has the molecular formula C14H16N4O5 and a molecular weight of 320.31 g/mol. Its IUPAC name is 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide
PubChem CID167915084
Molecular FormulaC14H16N4O5
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide
SMILESCC(C)COc1ccc(NC(=O)c2cn(O)c(=O)[nH]c2=O)cn1
InChIInChI=1S/C14H16N4O5/c1-8(2)7-23-11-4-3-9(5-15-11)16-12(19)10-6-18(22)14(21)17-13(10)20/h3-6,8,22H,7H2,1-2H3,(H,16,19)(H,17,20,21)
InChIKeyAGKZDXBHSUFKKH-UHFFFAOYSA-N
XLogP0.46
TPSA126.31 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 50.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

methyl 2,4-dimethyl-5-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]-1H-pyrrole-3-carboxylate
CID 86964029
(3S)-3-(2,5-dihydropyrrol-1-yl)-N-[6-(2-methylpropoxy)-3-pyridinyl]pyrrolidine-1-carboxamide
CID 98349135
2-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]cyclopentane-1-carboxamide
CID 110014658
2-(5-bromo-2,4-dioxopyrimidin-1-yl)-N-(6-methoxy-3-pyridinyl)acetamide
CID 27449421
2,4-dichloro-N-[2-[[6-(2-methylpropoxy)-3-pyridinyl]amino]-2-oxoethyl]benzamide
CID 86964456
1-[[6-(2-methylpropoxy)-3-pyridinyl]carbamoyl]piperidine-3-carboxylic acid
CID 122084895
1-methyl-3-[6-(2-methylpropoxy)-3-pyridinyl]-1-[(1-prop-2-ynylpyrazol-4-yl)methyl]urea
CID 71916542
N-(6-chloro-3-pyridinyl)-4-(2-methylpropoxy)benzamide
CID 54787953
4-chloro-N-(6-ethoxy-3-pyridinyl)pyridine-3-carboxamide
CID 81233280
2-amino-N-[6-(2-methoxyethoxy)-3-pyridinyl]propanamide
CID 43704147
2-ethoxy-N-(6-ethoxy-3-pyridinyl)-4-methyl-2-(2-methylpropyl)pentanamide
CID 100776520
2-(ethylamino)-N-(6-methoxy-3-pyridinyl)benzamide
CID 62165993

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide (CID 167915084) is 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide is CC(C)COc1ccc(NC(=O)c2cn(O)c(=O)[nH]c2=O)cn1.
What is the InChIKey of 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is AGKZDXBHSUFKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O5/c1-8(2)7-23-11-4-3-9(5-15-11)16-12(19)10-6-18(22)14(21)17-13(10)20/h3-6,8,22H,7H2,1-2H3,(H,16,19)(H,17,20,21).
What are the key properties of 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide?
1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 320.31 g/mol, XLogP of 0.46, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[6-(2-methylpropoxy)-3-pyridinyl]-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 167915084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).