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

C22H21N5O2 — CID 71241969

IUPAC2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCCCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1
InChIInChI=1S/C22H21N5O2/c1-2-9-27-13-16(12-26-27)15-10-19-17(5-3-7-24-19)21(11-15)29-14-20-18(22(23)28)6-4-8-25-20/h3-8,10-13H,2,9,14H2,1H3,(H2,23,28)
InChIKeyWKUYKBFVOOHFRB-UHFFFAOYSA-N
MW387.44 g/mol
LogP3.58
Rot. Bonds7

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

2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241969) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241969
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCCCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1
InChIInChI=1S/C22H21N5O2/c1-2-9-27-13-16(12-26-27)15-10-19-17(5-3-7-24-19)21(11-15)29-14-20-18(22(23)28)6-4-8-25-20/h3-8,10-13H,2,9,14H2,1H3,(H2,23,28)
InChIKeyWKUYKBFVOOHFRB-UHFFFAOYSA-N
XLogP3.58
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241969) is 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is CCCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.
What is the InChIKey of 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is WKUYKBFVOOHFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/c1-2-9-27-13-16(12-26-27)15-10-19-17(5-3-7-24-19)21(11-15)29-14-20-18(22(23)28)6-4-8-25-20/h3-8,10-13H,2,9,14H2,1H3,(H2,23,28).
What are the key properties of 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 387.44 g/mol, XLogP of 3.58, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(1-propylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).