N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

C14H16N4O3 — CID 71810145

IUPACN-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H16N4O3/c19-13-2-1-10(7-15-13)14(20)17-11-8-16-18(9-11)12-3-5-21-6-4-12/h1-2,7-9,12H,3-6H2,(H,15,19)(H,17,20)
InChIKeyCLANFUFQVGJIAL-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.18
Rot. Bonds3

About N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide

N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (PubChem CID 71810145) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
PubChem CID71810145
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide
SMILESO=C(Nc1cnn(C2CCOCC2)c1)c1ccc(=O)[nH]c1
InChIInChI=1S/C14H16N4O3/c19-13-2-1-10(7-15-13)14(20)17-11-8-16-18(9-11)12-3-5-21-6-4-12/h1-2,7-9,12H,3-6H2,(H,15,19)(H,17,20)
InChIKeyCLANFUFQVGJIAL-UHFFFAOYSA-N
XLogP1.18
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide (CID 71810145) is N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is O=C(Nc1cnn(C2CCOCC2)c1)c1ccc(=O)[nH]c1.
What is the InChIKey of N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
The InChIKey is CLANFUFQVGJIAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13-2-1-10(7-15-13)14(20)17-11-8-16-18(9-11)12-3-5-21-6-4-12/h1-2,7-9,12H,3-6H2,(H,15,19)(H,17,20).
What are the key properties of N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide?
N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxan-4-yl)pyrazol-4-yl]-6-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 71810145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).