N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C20H20N4O3 — CID 109157890

IUPACN-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-17-7-6-16(10-18(17)27-2)24-20(25)15-5-8-19(23-13-15)22-12-14-4-3-9-21-11-14/h3-11,13H,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOTJVHEBBWHAYHH-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.36
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109157890) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID109157890
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-17-7-6-16(10-18(17)27-2)24-20(25)15-5-8-19(23-13-15)22-12-14-4-3-9-21-11-14/h3-11,13H,12H2,1-2H3,(H,22,23)(H,24,25)
InChIKeyOTJVHEBBWHAYHH-UHFFFAOYSA-N
XLogP3.36
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 ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3,4-dimethoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157851
N-(4-acetamidophenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157895
N-(4-tert-butylphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157873
N-(3,4-dimethoxyphenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371042
N-(3,4-difluorophenyl)-6-[(3,4-dimethoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109159919
6-[(3,4-dimethoxyphenyl)methylamino]-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109159913
N-[(2-methoxyphenyl)methyl]-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109157134
6-(pyridin-3-ylmethylamino)-N-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109157892
2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
3,4-diethoxy-N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]benzamide
CID 46426672
6-[(4-methoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157222
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 109157890) is N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2ccc(NCc3cccnc3)nc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is OTJVHEBBWHAYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-7-6-16(10-18(17)27-2)24-20(25)15-5-8-19(23-13-15)22-12-14-4-3-9-21-11-14/h3-11,13H,12H2,1-2H3,(H,22,23)(H,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.36, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109157890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).