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

C20H19N3O2 — CID 112983018

IUPAC4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-19-10-4-16(5-11-19)20(24)23-18-8-6-17(7-9-18)22-14-15-3-2-12-21-13-15/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyTUUWUPDTSKYGSI-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.95
Rot. Bonds6

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

4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide (PubChem CID 112983018) has the molecular formula C20H19N3O2 and a molecular weight of 333.39 g/mol. Its IUPAC name is 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
PubChem CID112983018
Molecular FormulaC20H19N3O2
Molecular Weight333.39 g/mol
Exact Mass333.15
IUPAC Name4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide
SMILESCOc1ccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)cc1
InChIInChI=1S/C20H19N3O2/c1-25-19-10-4-16(5-11-19)20(24)23-18-8-6-17(7-9-18)22-14-15-3-2-12-21-13-15/h2-13,22H,14H2,1H3,(H,23,24)
InChIKeyTUUWUPDTSKYGSI-UHFFFAOYSA-N
XLogP3.95
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259038
N-(4-methoxyphenyl)-4-[5-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]benzamide;3-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-5-amine
CID 159643619
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690
4-N-(4-tert-butylphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047675
4-N-(4-acetamidophenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047706
N-(3-methoxyphenyl)-2-(pyridin-3-ylmethylamino)pyrimidine-5-carboxamide
CID 109259037
2-[(4-methoxybenzoyl)amino]-N-(pyridin-3-ylmethyl)benzamide
CID 991450
N-(4-ethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191396
N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157873
2-(benzylamino)-N-(4-methoxyphenyl)pyrimidine-5-carboxamide
CID 109255470
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235436
N-(4-phenoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 109191420

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide?
The IUPAC name of 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide (CID 112983018) is 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide?
The canonical SMILES for 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide is COc1ccc(C(=O)Nc2ccc(NCc3cccnc3)cc2)cc1.
What is the InChIKey of 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide?
The InChIKey is TUUWUPDTSKYGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2/c1-25-19-10-4-16(5-11-19)20(24)23-18-8-6-17(7-9-18)22-14-15-3-2-12-21-13-15/h2-13,22H,14H2,1H3,(H,23,24).
What are the key properties of 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide?
4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide has a molecular weight of 333.39 g/mol, XLogP of 3.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[4-(pyridin-3-ylmethylamino)phenyl]benzamide is sourced from PubChem (CID 112983018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).