4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide

C22H21N3O4 — CID 46386365

IUPAC4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ncccc3NC(C)=O)cc2)cc(OC)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)24-20-5-4-10-23-21(20)15-6-8-16(9-7-15)22(27)25-17-11-18(28-2)13-19(12-17)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeySGEFZXYDRHNXGC-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.98
Rot. Bonds6

About 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide

4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide (PubChem CID 46386365) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide
PubChem CID46386365
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(-c3ncccc3NC(C)=O)cc2)cc(OC)c1
InChIInChI=1S/C22H21N3O4/c1-14(26)24-20-5-4-10-23-21(20)15-6-8-16(9-7-15)22(27)25-17-11-18(28-2)13-19(12-17)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27)
InChIKeySGEFZXYDRHNXGC-UHFFFAOYSA-N
XLogP3.98
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-acetamido-2-pyridinyl)-N-(3-chlorophenyl)benzamide
CID 46386362
N-(3,5-dimethylphenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
CID 50829827
N-(3,5-dimethoxyphenyl)-4-(methylamino)benzamide
CID 62170663
N-(3-fluorophenyl)-4-[3-(propanoylamino)-2-pyridinyl]benzamide
CID 46386341
3-methoxy-N-(3-methoxyphenyl)-4-(3-methoxy-2-pyridinyl)benzamide
CID 59673404
4-(carbamoylamino)-N-(3,5-dimethoxyphenyl)benzamide
CID 4786525
N-(3,5-dimethoxyphenyl)acetamide
CID 702039
N-(3,5-dimethoxyphenyl)-3-methoxy-4-methylbenzamide
CID 16619720
N-(3,5-dimethoxyphenyl)-4-(1,3-dioxoisoindol-2-yl)benzamide
CID 9096856
N-(3,5-dimethoxyphenyl)-4-(6-pyrrolidin-1-ylpyrimidin-4-yl)benzamide
CID 53098854
(3-acetamido-5-methoxyphenyl) quinoline-6-carboperoxoate
CID 166095721
4-(3,5-dimethoxybenzoyl)-N-quinolin-6-ylbenzamide;hydrochloride
CID 90485217

Frequently Asked Questions

What is the IUPAC name of 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide?
The IUPAC name of 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide (CID 46386365) is 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide.
What is the SMILES notation for 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide?
The canonical SMILES for 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide is COc1cc(NC(=O)c2ccc(-c3ncccc3NC(C)=O)cc2)cc(OC)c1.
What is the InChIKey of 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide?
The InChIKey is SGEFZXYDRHNXGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-14(26)24-20-5-4-10-23-21(20)15-6-8-16(9-7-15)22(27)25-17-11-18(28-2)13-19(12-17)29-3/h4-13H,1-3H3,(H,24,26)(H,25,27).
What are the key properties of 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide?
4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide has a molecular weight of 391.43 g/mol, XLogP of 3.98, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-acetamido-2-pyridinyl)-N-(3,5-dimethoxyphenyl)benzamide is sourced from PubChem (CID 46386365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).