2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

C20H17N5O2 — CID 71241917

IUPAC2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1
InChIInChI=1S/C20H17N5O2/c1-25-11-14(10-24-25)13-8-17-15(4-2-6-22-17)19(9-13)27-12-18-16(20(21)26)5-3-7-23-18/h2-11H,12H2,1H3,(H2,21,26)
InChIKeyQDELSYNMUOUXFU-UHFFFAOYSA-N
MW359.39 g/mol
LogP2.71
Rot. Bonds5

About 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide

2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241917) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241917
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1
InChIInChI=1S/C20H17N5O2/c1-25-11-14(10-24-25)13-8-17-15(4-2-6-22-17)19(9-13)27-12-18-16(20(21)26)5-3-7-23-18/h2-11H,12H2,1H3,(H2,21,26)
InChIKeyQDELSYNMUOUXFU-UHFFFAOYSA-N
XLogP2.71
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241917) is 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is Cn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.
What is the InChIKey of 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is QDELSYNMUOUXFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-25-11-14(10-24-25)13-8-17-15(4-2-6-22-17)19(9-13)27-12-18-16(20(21)26)5-3-7-23-18/h2-11H,12H2,1H3,(H2,21,26).
What are the key properties of 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).