N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide

C23H20N2O3 — CID 155556890

IUPACN-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C)c(C#Cc3cccnc3)c2)cc(OC)c1
InChIInChI=1S/C23H20N2O3/c1-16-6-8-19(11-18(16)9-7-17-5-4-10-24-15-17)23(26)25-20-12-21(27-2)14-22(13-20)28-3/h4-6,8,10-15H,1-3H3,(H,25,26)
InChIKeyKXTKYJDOQNTCEH-UHFFFAOYSA-N
MW372.42 g/mol
LogP4.06
Rot. Bonds4

About N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide

N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide (PubChem CID 155556890) has the molecular formula C23H20N2O3 and a molecular weight of 372.42 g/mol. Its IUPAC name is N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide.

Molecular Properties

Compound NameN-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide
PubChem CID155556890
Molecular FormulaC23H20N2O3
Molecular Weight372.42 g/mol
Exact Mass372.15
IUPAC NameN-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide
SMILESCOc1cc(NC(=O)c2ccc(C)c(C#Cc3cccnc3)c2)cc(OC)c1
InChIInChI=1S/C23H20N2O3/c1-16-6-8-19(11-18(16)9-7-17-5-4-10-24-15-17)23(26)25-20-12-21(27-2)14-22(13-20)28-3/h4-6,8,10-15H,1-3H3,(H,25,26)
InChIKeyKXTKYJDOQNTCEH-UHFFFAOYSA-N
XLogP4.06
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

N-(3,5-dimethoxyphenyl)-3-phenyl-2-(1H-pyrrol-1-yl)propanamide
CID 6619890
3-[2-(2-amino-3-pyridinyl)ethynyl]-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 155512202
6-Amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]pyridine-3-carboxamide
CID 155526782
3-[2-[2-amino-5-(1-methylpyrazol-4-yl)-3-pyridinyl]ethynyl]-N-(3,5-dimethoxyphenyl)-4-methylbenzamide
CID 155555824
4-[(E)-2-(4-ethenyl-3,5-dimethoxyphenyl)ethenyl]-N-(2-pyridin-4-ylethyl)benzamide
CID 155561294
6-amino-5-[2-[5-[(3,5-dimethoxyphenyl)carbamoyl]-2-methylphenyl]ethynyl]-N-methylpyridine-3-carboxamide
CID 155561907
N-(3-methoxyphenyl)-5-[4-(piperazine-1-carbonyl)phenyl]pyridine-3-carboxamide
CID 164524467
3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
CID 3742515
3-Oxo-2-[(pyridin-3-YL)methyl]-N-(3,4,5-trimethoxyphenyl)-2,3-dihydro-1H-isoindole-4-carboxamide
CID 5309844
2-[1-oxo-4-(pyridin-3-ylmethyl)phthalazin-2-yl]-N-(3,4,5-trimethoxyphenyl)acetamide
CID 9550951
N-(3-Methoxyphenyl)-2-{1-oxo-4-[(pyridin-3-YL)methyl]-1,2-dihydrophthalazin-2-YL}acetamide
CID 9550952
3-(3-Dimethylamino-prop-1-ynyl)-4-methoxy-N-(4-pyridin-4-yl-phenyl)-benzamide
CID 10786335

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide?
The IUPAC name of N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide (CID 155556890) is N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide.
What is the SMILES notation for N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide?
The canonical SMILES for N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide is COc1cc(NC(=O)c2ccc(C)c(C#Cc3cccnc3)c2)cc(OC)c1.
What is the InChIKey of N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide?
The InChIKey is KXTKYJDOQNTCEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O3/c1-16-6-8-19(11-18(16)9-7-17-5-4-10-24-15-17)23(26)25-20-12-21(27-2)14-22(13-20)28-3/h4-6,8,10-15H,1-3H3,(H,25,26).
What are the key properties of N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide?
N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide has a molecular weight of 372.42 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethoxyphenyl)-4-methyl-3-(2-pyridin-3-ylethynyl)benzamide is sourced from PubChem (CID 155556890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).