3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide

C21H21N3O3 — CID 112983135

IUPAC3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3ccncc3)cc2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-19-8-3-16(13-20(19)27-2)21(25)24-18-6-4-17(5-7-18)23-14-15-9-11-22-12-10-15/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeyYIMCEXUOGACJDO-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.96
Rot. Bonds7

About 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide

3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide (PubChem CID 112983135) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
PubChem CID112983135
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3ccncc3)cc2)cc1OC
InChIInChI=1S/C21H21N3O3/c1-26-19-8-3-16(13-20(19)27-2)21(25)24-18-6-4-17(5-7-18)23-14-15-9-11-22-12-10-15/h3-13,23H,14H2,1-2H3,(H,24,25)
InChIKeyYIMCEXUOGACJDO-UHFFFAOYSA-N
XLogP3.96
TPSA72.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235722
4-acetamido-N-[4-methoxy-3-(pyridin-4-ylmethoxy)phenyl]benzamide
CID 43068273
3-methyl-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 2993697
N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
3,4-dimethoxy-N-[4-(prop-2-enylamino)phenyl]benzamide
CID 112980100
N-[4-(aminomethyl)phenyl]-3,4-dimethoxybenzamide
CID 16793219
N-[4-[(4-tert-butylbenzoyl)amino]phenyl]-3,4-dimethoxybenzamide
CID 15994045
N-[4-[(3-amino-4-pyridinyl)oxymethyl]phenyl]-3,4-dimethoxybenzamide
CID 143408520
3-chloro-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983148
4-(difluoromethoxy)-3-methoxy-N-pyridin-4-ylbenzamide
CID 3461577
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157890
4-hexoxy-3-methoxy-N-pyridin-4-ylbenzamide
CID 60589873

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The IUPAC name of 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide (CID 112983135) is 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(NCc3ccncc3)cc2)cc1OC.
What is the InChIKey of 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
The InChIKey is YIMCEXUOGACJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-26-19-8-3-16(13-20(19)27-2)21(25)24-18-6-4-17(5-7-18)23-14-15-9-11-22-12-10-15/h3-13,23H,14H2,1-2H3,(H,24,25).
What are the key properties of 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide?
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide has a molecular weight of 363.42 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 112983135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).