N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

C20H20N4O3 — CID 109235436

IUPACN-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NCc3cccnc3)c2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-5-6-18(19(9-17)27-2)24-20(25)15-8-16(13-22-12-15)23-11-14-4-3-7-21-10-14/h3-10,12-13,23H,11H2,1-2H3,(H,24,25)
InChIKeyQOSORPJORAVXCH-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.36
Rot. Bonds7

About N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide

N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235436) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235436
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NCc3cccnc3)c2)c(OC)c1
InChIInChI=1S/C20H20N4O3/c1-26-17-5-6-18(19(9-17)27-2)24-20(25)15-8-16(13-22-12-15)23-11-14-4-3-7-21-10-14/h3-10,12-13,23H,11H2,1-2H3,(H,24,25)
InChIKeyQOSORPJORAVXCH-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

5-(2,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109235293
N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazine-2-carboxamide
CID 109283445
N-(2,4-dimethoxyphenyl)-6-(pyridin-3-ylmethylamino)pyridazine-3-carboxamide
CID 109121032
N-(2-ethylphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235401
N-(2,4-difluorophenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 109235467
5-(2,4-dimethoxyanilino)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109245108
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885
5-[(4-chlorophenyl)methylamino]-N-(2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109234136
N-(2,4-dimethoxyphenyl)-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 39709892
2-(benzylamino)-N-(2,4-dimethoxyphenyl)pyrimidine-5-carboxamide
CID 109255477
5-(benzylamino)-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-3-carboxamide
CID 109231933
N-(2-methoxy-5-methylphenyl)-5-[(4-methoxyphenyl)methylamino]pyridine-3-carboxamide
CID 109234541

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide (CID 109235436) is N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(NCc3cccnc3)c2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is QOSORPJORAVXCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-5-6-18(19(9-17)27-2)24-20(25)15-8-16(13-22-12-15)23-11-14-4-3-7-21-10-14/h3-10,12-13,23H,11H2,1-2H3,(H,24,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide?
N-(2,4-dimethoxyphenyl)-5-(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-(2,4-dimethoxyphenyl)-5-(pyridin-3-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).