6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide

C24H25N3O3 — CID 92620909

IUPAC6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CNC(=O)Cc3ccc(OC)cc3)cc2)nc1C
InChIInChI=1S/C24H25N3O3/c1-16-21(24(29)25-2)12-13-22(27-16)19-8-4-18(5-9-19)15-26-23(28)14-17-6-10-20(30-3)11-7-17/h4-13H,14-15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyRTTISRMUUIVJSZ-UHFFFAOYSA-N
MW403.48 g/mol
LogP3.28
Rot. Bonds7

About 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide

6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide (PubChem CID 92620909) has the molecular formula C24H25N3O3 and a molecular weight of 403.48 g/mol. Its IUPAC name is 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
PubChem CID92620909
Molecular FormulaC24H25N3O3
Molecular Weight403.48 g/mol
Exact Mass403.19
IUPAC Name6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(-c2ccc(CNC(=O)Cc3ccc(OC)cc3)cc2)nc1C
InChIInChI=1S/C24H25N3O3/c1-16-21(24(29)25-2)12-13-22(27-16)19-8-4-18(5-9-19)15-26-23(28)14-17-6-10-20(30-3)11-7-17/h4-13H,14-15H2,1-3H3,(H,25,29)(H,26,28)
InChIKeyRTTISRMUUIVJSZ-UHFFFAOYSA-N
XLogP3.28
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.48
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[4-[[[(2R)-2-(3,4-dimethylphenoxy)propanoyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide
CID 92620815
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-benzyl-2-(4-methoxyphenyl)acetamide
CID 795936
2-methoxy-N-[(4-methoxyphenyl)methyl]acetamide
CID 885776
N-[(4-methoxyphenyl)methyl]-2-(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)acetamide
CID 110329175
2-(4-methoxyphenyl)-N-[[4-(methylsulfamoylmethyl)phenyl]methyl]acetamide
CID 17419617
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
2-[(4-methoxyphenyl)methylamino]-N-[(4-methylphenyl)methyl]pyrimidine-5-carboxamide
CID 109256082
2-(4-fluorophenyl)-N-[(4-methoxyphenyl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 9400718
N-[[4-[5-[(dimethylamino)methyl]-1-methylpyrazol-3-yl]phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 92566097
2-methyl-6-(4-propan-2-yloxyphenyl)pyridine-3-carbohydrazide
CID 82453181
2-(4-methoxyphenyl)-N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]acetamide
CID 17164148

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The IUPAC name of 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide (CID 92620909) is 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide is CNC(=O)c1ccc(-c2ccc(CNC(=O)Cc3ccc(OC)cc3)cc2)nc1C.
What is the InChIKey of 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
The InChIKey is RTTISRMUUIVJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3/c1-16-21(24(29)25-2)12-13-22(27-16)19-8-4-18(5-9-19)15-26-23(28)14-17-6-10-20(30-3)11-7-17/h4-13H,14-15H2,1-3H3,(H,25,29)(H,26,28).
What are the key properties of 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide?
6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide has a molecular weight of 403.48 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[[2-(4-methoxyphenyl)acetyl]amino]methyl]phenyl]-N,2-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 92620909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).