3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide

C21H18N2O4 — CID 3742515

IUPAC3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
InChIInChI=1S/C21H18N2O4/c1-26-18-11-16(12-19(13-18)27-2)21(25)23-17-5-3-14(4-6-17)20(24)15-7-9-22-10-8-15/h3-13H,1-2H3,(H,23,25)
InChIKeyUTOBECVRGPSJTG-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.58
Rot. Bonds6

About 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide

3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide (PubChem CID 3742515) has the molecular formula C21H18N2O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
PubChem CID3742515
Molecular FormulaC21H18N2O4
Molecular Weight362.39 g/mol
Exact Mass362.13
IUPAC Name3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1
InChIInChI=1S/C21H18N2O4/c1-26-18-11-16(12-19(13-18)27-2)21(25)23-17-5-3-14(4-6-17)20(24)15-7-9-22-10-8-15/h3-13H,1-2H3,(H,23,25)
InChIKeyUTOBECVRGPSJTG-UHFFFAOYSA-N
XLogP3.58
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3,4,5-trimethoxy-N-3-pyridylbenzamide
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4-(2,4-Dimethoxy-phenyl)-4-oxo-N-pyridin-3-yl-butyramide
CID 970468
4-methoxy-N-{4-[(3-pyridinylamino)carbonyl]phenyl}benzamide
CID 972486
3,5-dimethoxy-N-[2-oxo-2-(pyridin-2-ylmethylamino)ethyl]benzamide
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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide (CID 3742515) is 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide is COc1cc(OC)cc(C(=O)Nc2ccc(C(=O)c3ccncc3)cc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
The InChIKey is UTOBECVRGPSJTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O4/c1-26-18-11-16(12-19(13-18)27-2)21(25)23-17-5-3-14(4-6-17)20(24)15-7-9-22-10-8-15/h3-13H,1-2H3,(H,23,25).
What are the key properties of 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide?
3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[4-(pyridine-4-carbonyl)phenyl]benzamide is sourced from PubChem (CID 3742515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).