4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide

C21H21N3O2 — CID 122531799

IUPAC4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide
SMILESCCc1c(-c2ccc(C(=O)NC)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C21H21N3O2/c1-3-17-18(13-4-6-15(7-5-13)21(26)23-2)12-24-20(22)19(17)14-8-10-16(25)11-9-14/h4-12,25H,3H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyGUXGBQOCJOOOFS-UHFFFAOYSA-N
MW347.42 g/mol
LogP3.63
Rot. Bonds4

About 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide

4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide (PubChem CID 122531799) has the molecular formula C21H21N3O2 and a molecular weight of 347.42 g/mol. Its IUPAC name is 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide
PubChem CID122531799
Molecular FormulaC21H21N3O2
Molecular Weight347.42 g/mol
Exact Mass347.16
IUPAC Name4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide
SMILESCCc1c(-c2ccc(C(=O)NC)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C21H21N3O2/c1-3-17-18(13-4-6-15(7-5-13)21(26)23-2)12-24-20(22)19(17)14-8-10-16(25)11-9-14/h4-12,25H,3H2,1-2H3,(H2,22,24)(H,23,26)
InChIKeyGUXGBQOCJOOOFS-UHFFFAOYSA-N
XLogP3.63
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.42
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide?
The IUPAC name of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide (CID 122531799) is 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide is CCc1c(-c2ccc(C(=O)NC)cc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide?
The InChIKey is GUXGBQOCJOOOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O2/c1-3-17-18(13-4-6-15(7-5-13)21(26)23-2)12-24-20(22)19(17)14-8-10-16(25)11-9-14/h4-12,25H,3H2,1-2H3,(H2,22,24)(H,23,26).
What are the key properties of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide?
4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide has a molecular weight of 347.42 g/mol, XLogP of 3.63, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 122531799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).