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

C22H23N3O2 — CID 122531756

IUPAC4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCCc1c(-c2ccc(C(=O)N(C)C)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C22H23N3O2/c1-4-18-19(14-5-7-16(8-6-14)22(27)25(2)3)13-24-21(23)20(18)15-9-11-17(26)12-10-15/h5-13,26H,4H2,1-3H3,(H2,23,24)
InChIKeyXGALEDDBPRSQTF-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.97
Rot. Bonds4

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

4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide (PubChem CID 122531756) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide
PubChem CID122531756
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide
SMILESCCc1c(-c2ccc(C(=O)N(C)C)cc2)cnc(N)c1-c1ccc(O)cc1
InChIInChI=1S/C22H23N3O2/c1-4-18-19(14-5-7-16(8-6-14)22(27)25(2)3)13-24-21(23)20(18)15-9-11-17(26)12-10-15/h5-13,26H,4H2,1-3H3,(H2,23,24)
InChIKeyXGALEDDBPRSQTF-UHFFFAOYSA-N
XLogP3.97
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.97
H-Bond Donors ≤ 52
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,N-dimethylbenzamide?
The IUPAC name of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide (CID 122531756) is 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide is CCc1c(-c2ccc(C(=O)N(C)C)cc2)cnc(N)c1-c1ccc(O)cc1.
What is the InChIKey of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide?
The InChIKey is XGALEDDBPRSQTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-4-18-19(14-5-7-16(8-6-14)22(27)25(2)3)13-24-21(23)20(18)15-9-11-17(26)12-10-15/h5-13,26H,4H2,1-3H3,(H2,23,24).
What are the key properties of 4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide?
4-[6-amino-4-ethyl-5-(4-hydroxyphenyl)-3-pyridinyl]-N,N-dimethylbenzamide has a molecular weight of 361.45 g/mol, XLogP of 3.97, 4 rotatable bonds, 2 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,N-dimethylbenzamide is sourced from PubChem (CID 122531756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).