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

C21H19N5O2 — CID 71241952

IUPAC2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1
InChIInChI=1S/C21H19N5O2/c1-2-26-12-15(11-25-26)14-9-18-16(5-3-7-23-18)20(10-14)28-13-19-17(21(22)27)6-4-8-24-19/h3-12H,2,13H2,1H3,(H2,22,27)
InChIKeySIPQHADHLXOBLO-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.19
Rot. Bonds6

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

2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (PubChem CID 71241952) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
PubChem CID71241952
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
SMILESCCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1
InChIInChI=1S/C21H19N5O2/c1-2-26-12-15(11-25-26)14-9-18-16(5-3-7-23-18)20(10-14)28-13-19-17(21(22)27)6-4-8-24-19/h3-12H,2,13H2,1H3,(H2,22,27)
InChIKeySIPQHADHLXOBLO-UHFFFAOYSA-N
XLogP3.19
TPSA95.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-Amino-3-(7-ethoxyquinolin-3-yl)-1-(oxan-4-yl)pyrazole-4-carboxamide
CID 86342042
1-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-3-trifluoromethyl-1H-pyridin-2-one
CID 44191040
7-[1-[2-(dimethylamino)ethyl]pyrazol-4-yl]-N-[2-(furan-3-yl)-4-pyridinyl]quinolin-4-amine
CID 164609521
N-{4-methyl-3-[2-methyl-4-(2-methyl-2H-pyrazol-3-yl)-quinolin-8-yloxymethyl]-pyridin-2-ylmethyl}-isobutyramide
CID 44190581
(5-Isoquinolin-8-yloxy-2-methylpiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 46211878
(2-Methyl-5-quinolin-5-yloxypiperidin-1-yl)-[2-(triazol-2-yl)phenyl]methanone
CID 46212539
(4R)-4-[(1R)-1-[7-[1-(2-hydroxyethyl)pyrazol-4-yl]quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71238417
2-[4-[5-[(1R)-1-[(3R)-5-oxopyrrolidin-3-yl]ethoxy]quinolin-7-yl]pyrazol-1-yl]ethyl acetate
CID 71238651
2-[[7-(3,4-Dimethoxyphenyl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241902
(4R)-4-[(1R)-1-[7-(1-methylindazol-6-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241911
2-[[7-(1-Methylindazol-6-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide
CID 71241914
(4R)-4-[(1R)-1-[7-(1-methylpyrazol-4-yl)quinolin-5-yl]oxyethyl]pyrrolidin-2-one
CID 71241918

Frequently Asked Questions

What is the IUPAC name of 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The IUPAC name of 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide (CID 71241952) is 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The canonical SMILES for 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is CCn1cc(-c2cc(OCc3ncccc3C(N)=O)c3cccnc3c2)cn1.
What is the InChIKey of 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
The InChIKey is SIPQHADHLXOBLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-2-26-12-15(11-25-26)14-9-18-16(5-3-7-23-18)20(10-14)28-13-19-17(21(22)27)6-4-8-24-19/h3-12H,2,13H2,1H3,(H2,22,27).
What are the key properties of 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide?
2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide has a molecular weight of 373.42 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[7-(1-ethylpyrazol-4-yl)quinolin-5-yl]oxymethyl]pyridine-3-carboxamide is sourced from PubChem (CID 71241952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).