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

C20H20N4O3 — CID 109235722

IUPACN-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-18-4-3-16(10-19(18)27-2)24-20(25)15-9-17(13-22-12-15)23-11-14-5-7-21-8-6-14/h3-10,12-13,23H,11H2,1-2H3,(H,24,25)
InChIKeyDXIKTHRASDDRPO-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.36
Rot. Bonds7

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

N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (PubChem CID 109235722) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
PubChem CID109235722
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC NameN-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-18-4-3-16(10-19(18)27-2)24-20(25)15-9-17(13-22-12-15)23-11-14-5-7-21-8-6-14/h3-10,12-13,23H,11H2,1-2H3,(H,24,25)
InChIKeyDXIKTHRASDDRPO-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

Analyze N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-chloro-4-methoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235708
N-(3,4-dimethoxyphenyl)-5-[(3-methylphenyl)methylamino]pyridine-3-carboxamide
CID 109232444
5-[(3,4-dimethoxyphenyl)methylamino]-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 109237942
3,4-dimethoxy-N-[4-(pyridin-4-ylmethylamino)phenyl]benzamide
CID 112983135
N-[2-(3,4-dimethoxyphenyl)ethyl]-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235646
N-(4-acetylphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235727
N-(3,4-dimethoxyphenyl)-5-(prop-2-enylamino)pyridine-3-carboxamide
CID 109224281
5-[(4-methoxyphenyl)methylamino]-N-(pyridin-4-ylmethyl)pyridine-3-carboxamide
CID 109234472
N-(pyridin-4-ylmethyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235489
N-(3-chloro-4-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235706
N-(3-fluorophenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109235741
5-(benzylamino)-N-(3-methoxyphenyl)pyridine-3-carboxamide
CID 109231885

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide (CID 109235722) is N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is COc1ccc(NC(=O)c2cncc(NCc3ccncc3)c2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
The InChIKey is DXIKTHRASDDRPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-18-4-3-16(10-19(18)27-2)24-20(25)15-9-17(13-22-12-15)23-11-14-5-7-21-8-6-14/h3-10,12-13,23H,11H2,1-2H3,(H,24,25).
What are the key properties of N-(3,4-dimethoxyphenyl)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide?
N-(3,4-dimethoxyphenyl)-5-(pyridin-4-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)-5-(pyridin-4-ylmethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 109235722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).