2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide

C23H25N3O2 — CID 109172872

IUPAC2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCc2cccc(OC)c2)ccn1
InChIInChI=1S/C23H25N3O2/c1-3-26(20-9-5-4-6-10-20)22-17-19(13-15-24-22)23(27)25-14-12-18-8-7-11-21(16-18)28-2/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,25,27)
InChIKeyXJFHCDSYFZIALL-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.22
Rot. Bonds8

About 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide

2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (PubChem CID 109172872) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
PubChem CID109172872
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
SMILESCCN(c1ccccc1)c1cc(C(=O)NCCc2cccc(OC)c2)ccn1
InChIInChI=1S/C23H25N3O2/c1-3-26(20-9-5-4-6-10-20)22-17-19(13-15-24-22)23(27)25-14-12-18-8-7-11-21(16-18)28-2/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,25,27)
InChIKeyXJFHCDSYFZIALL-UHFFFAOYSA-N
XLogP4.22
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide (CID 109172872) is 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is CCN(c1ccccc1)c1cc(C(=O)NCCc2cccc(OC)c2)ccn1.
What is the InChIKey of 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
The InChIKey is XJFHCDSYFZIALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-26(20-9-5-4-6-10-20)22-17-19(13-15-24-22)23(27)25-14-12-18-8-7-11-21(16-18)28-2/h4-11,13,15-17H,3,12,14H2,1-2H3,(H,25,27).
What are the key properties of 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide?
2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.22, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-ethylanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 109172872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).