5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

C20H20N4O3 — CID 109235293

IUPAC5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCc3cccnc3)c2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-5-6-18(19(9-17)27-2)24-16-8-15(12-22-13-16)20(25)23-11-14-4-3-7-21-10-14/h3-10,12-13,24H,11H2,1-2H3,(H,23,25)
InChIKeySUDMTKITZSPDJL-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.17
Rot. Bonds7

About 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide

5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 109235293) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID109235293
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2cncc(C(=O)NCc3cccnc3)c2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-5-6-18(19(9-17)27-2)24-16-8-15(12-22-13-16)20(25)23-11-14-4-3-7-21-10-14/h3-10,12-13,24H,11H2,1-2H3,(H,23,25)
InChIKeySUDMTKITZSPDJL-UHFFFAOYSA-N
XLogP3.17
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235436
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
5-(2,4-dimethoxyanilino)-N-(4-ethylphenyl)pyridine-3-carboxamide
CID 109243459
5-(2,4-dimethoxyanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236471
6-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157978
5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
1-(2,4-dimethoxyphenyl)-3-(pyridin-3-ylmethyl)thiourea
CID 763140
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyanilino)pyridine-3-carboxamide
CID 109237914
5-(2,6-dimethylanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235256
5-(2,5-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235330
5-(2,4-dimethoxyanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109245660
4-N-(3-methoxyphenyl)-1-N-(pyridin-3-ylmethyl)benzene-1,4-dicarboxamide
CID 109047690

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide (CID 109235293) is 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is COc1ccc(Nc2cncc(C(=O)NCc3cccnc3)c2)c(OC)c1.
What is the InChIKey of 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is SUDMTKITZSPDJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-5-6-18(19(9-17)27-2)24-16-8-15(12-22-13-16)20(25)23-11-14-4-3-7-21-10-14/h3-10,12-13,24H,11H2,1-2H3,(H,23,25).
What are the key properties of 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide?
5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 109235293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).