N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide

C21H21N3O3 — CID 11233818

IUPACN-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NCc2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)24-21(26)18-5-3-4-6-19(18)22-13-15-7-12-20(25)23-14-15/h3-12,14,22H,2,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyDKKLHIKZYYNENS-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.64
Rot. Bonds7

About N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide

N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide (PubChem CID 11233818) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
PubChem CID11233818
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide
SMILESCCOc1ccc(NC(=O)c2ccccc2NCc2ccc(=O)[nH]c2)cc1
InChIInChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)24-21(26)18-5-3-4-6-19(18)22-13-15-7-12-20(25)23-14-15/h3-12,14,22H,2,13H2,1H3,(H,23,25)(H,24,26)
InChIKeyDKKLHIKZYYNENS-UHFFFAOYSA-N
XLogP3.64
TPSA83.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide (CID 11233818) is N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide is CCOc1ccc(NC(=O)c2ccccc2NCc2ccc(=O)[nH]c2)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide?
The InChIKey is DKKLHIKZYYNENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-2-27-17-10-8-16(9-11-17)24-21(26)18-5-3-4-6-19(18)22-13-15-7-12-20(25)23-14-15/h3-12,14,22H,2,13H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide?
N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.64, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-[(6-oxo-1H-pyridin-3-yl)methylamino]benzamide is sourced from PubChem (CID 11233818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).