1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

C14H17N5O2 — CID 137255610

IUPAC1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)Nc2cnn3c2NCCC3)cc1=O
InChIInChI=1S/C14H17N5O2/c1-2-18-7-4-10(8-12(18)20)14(21)17-11-9-16-19-6-3-5-15-13(11)19/h4,7-9,15H,2-3,5-6H2,1H3,(H,17,21)
InChIKeyVEHOSRQFSKGJJZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP1.13
Rot. Bonds3

About 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide

1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (PubChem CID 137255610) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.

Molecular Properties

Compound Name1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
PubChem CID137255610
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide
SMILESCCn1ccc(C(=O)Nc2cnn3c2NCCC3)cc1=O
InChIInChI=1S/C14H17N5O2/c1-2-18-7-4-10(8-12(18)20)14(21)17-11-9-16-19-6-3-5-15-13(11)19/h4,7-9,15H,2-3,5-6H2,1H3,(H,17,21)
InChIKeyVEHOSRQFSKGJJZ-UHFFFAOYSA-N
XLogP1.13
TPSA80.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The IUPAC name of 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide (CID 137255610) is 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide.
What is the SMILES notation for 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The canonical SMILES for 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is CCn1ccc(C(=O)Nc2cnn3c2NCCC3)cc1=O.
What is the InChIKey of 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
The InChIKey is VEHOSRQFSKGJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-2-18-7-4-10(8-12(18)20)14(21)17-11-9-16-19-6-3-5-15-13(11)19/h4,7-9,15H,2-3,5-6H2,1H3,(H,17,21).
What are the key properties of 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide?
1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 1.13, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-oxo-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxamide is sourced from PubChem (CID 137255610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).