N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide

C15H18N4O2 — CID 122274513

IUPACN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
SMILESCn1cc(-c2ccc(CNC(=O)C3CCOC3)cn2)cn1
InChIInChI=1S/C15H18N4O2/c1-19-9-13(8-18-19)14-3-2-11(6-16-14)7-17-15(20)12-4-5-21-10-12/h2-3,6,8-9,12H,4-5,7,10H2,1H3,(H,17,20)
InChIKeyBWKNGLOHBNTWAR-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.13
Rot. Bonds4

About N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide

N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide (PubChem CID 122274513) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
PubChem CID122274513
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC NameN-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide
SMILESCn1cc(-c2ccc(CNC(=O)C3CCOC3)cn2)cn1
InChIInChI=1S/C15H18N4O2/c1-19-9-13(8-18-19)14-3-2-11(6-16-14)7-17-15(20)12-4-5-21-10-12/h2-3,6,8-9,12H,4-5,7,10H2,1H3,(H,17,20)
InChIKeyBWKNGLOHBNTWAR-UHFFFAOYSA-N
XLogP1.13
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The IUPAC name of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide (CID 122274513) is N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide is Cn1cc(-c2ccc(CNC(=O)C3CCOC3)cn2)cn1.
What is the InChIKey of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide?
The InChIKey is BWKNGLOHBNTWAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-19-9-13(8-18-19)14-3-2-11(6-16-14)7-17-15(20)12-4-5-21-10-12/h2-3,6,8-9,12H,4-5,7,10H2,1H3,(H,17,20).
What are the key properties of N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide?
N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]oxolane-3-carboxamide is sourced from PubChem (CID 122274513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).