N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide

C23H25N3O2 — CID 109214474

IUPACN-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(NCCc2cccc(OC)c2)ccn1
InChIInChI=1S/C23H25N3O2/c1-3-18-8-4-5-10-21(18)26-23(27)22-16-19(12-14-25-22)24-13-11-17-7-6-9-20(15-17)28-2/h4-10,12,14-16H,3,11,13H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyIQFHTDGFBQEUIB-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.56
Rot. Bonds8

About N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide

N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide (PubChem CID 109214474) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
PubChem CID109214474
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide
SMILESCCc1ccccc1NC(=O)c1cc(NCCc2cccc(OC)c2)ccn1
InChIInChI=1S/C23H25N3O2/c1-3-18-8-4-5-10-21(18)26-23(27)22-16-19(12-14-25-22)24-13-11-17-7-6-9-20(15-17)28-2/h4-10,12,14-16H,3,11,13H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyIQFHTDGFBQEUIB-UHFFFAOYSA-N
XLogP4.56
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The IUPAC name of N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide (CID 109214474) is N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide.
What is the SMILES notation for N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The canonical SMILES for N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide is CCc1ccccc1NC(=O)c1cc(NCCc2cccc(OC)c2)ccn1.
What is the InChIKey of N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
The InChIKey is IQFHTDGFBQEUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-3-18-8-4-5-10-21(18)26-23(27)22-16-19(12-14-25-22)24-13-11-17-7-6-9-20(15-17)28-2/h4-10,12,14-16H,3,11,13H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide?
N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 4.56, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylphenyl)-4-[2-(3-methoxyphenyl)ethylamino]pyridine-2-carboxamide is sourced from PubChem (CID 109214474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).