2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide

C23H20N4O3 — CID 55880460

IUPAC2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C23H20N4O3/c28-22(21-11-5-12-24-23(21)30-19-8-2-1-3-9-19)26-18-7-4-10-20(17-18)29-16-15-27-14-6-13-25-27/h1-14,17H,15-16H2,(H,26,28)
InChIKeyOTOUQFVUZSWENE-UHFFFAOYSA-N
MW400.44 g/mol
LogP4.40
Rot. Bonds8

About 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide

2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 55880460) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
PubChem CID55880460
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1cccc(OCCn2cccn2)c1)c1cccnc1Oc1ccccc1
InChIInChI=1S/C23H20N4O3/c28-22(21-11-5-12-24-23(21)30-19-8-2-1-3-9-19)26-18-7-4-10-20(17-18)29-16-15-27-14-6-13-25-27/h1-14,17H,15-16H2,(H,26,28)
InChIKeyOTOUQFVUZSWENE-UHFFFAOYSA-N
XLogP4.40
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-phenyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55767479
N-[3-(2-pyrazol-1-ylethoxy)phenyl]-2H-benzotriazole-4-carboxamide
CID 86804269
N-(3-methylphenyl)-2-phenoxypyridine-3-carboxamide
CID 24513585
2-[2-(2-fluoroanilino)-2-oxoethoxy]-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55880459
5-[(2-chlorobenzoyl)amino]-3-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]thiophene-2-carboxamide
CID 55853728
tert-butyl N-[3-[[3-(2-pyrazol-1-ylethoxy)phenyl]carbamoyl]phenyl]carbamate
CID 55766558
2-chloro-4-nitro-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55766528
1-(3-methoxyphenyl)-2,5-dimethyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyrrole-3-carboxamide
CID 55967503
3-bromo-1-methyl-N-[3-(2-pyrazol-1-ylethoxy)phenyl]indole-2-carboxamide
CID 55854489
2-fluoro-N-[3-methyl-1-oxo-1-[3-(2-pyrazol-1-ylethoxy)anilino]butan-2-yl]benzamide
CID 55767418
2-chloro-5-(propan-2-ylsulfamoyl)-N-[3-(2-pyrazol-1-ylethoxy)phenyl]benzamide
CID 55881225
1-benzyl-1-[(1R)-1-cyclopropylethyl]-3-[3-(2-pyrazol-1-ylethoxy)phenyl]urea
CID 95157995

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide (CID 55880460) is 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide is O=C(Nc1cccc(OCCn2cccn2)c1)c1cccnc1Oc1ccccc1.
What is the InChIKey of 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is OTOUQFVUZSWENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c28-22(21-11-5-12-24-23(21)30-19-8-2-1-3-9-19)26-18-7-4-10-20(17-18)29-16-15-27-14-6-13-25-27/h1-14,17H,15-16H2,(H,26,28).
What are the key properties of 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide?
2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 4.40, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-N-[3-(2-pyrazol-1-ylethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 55880460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).