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

C20H20N4O3 — CID 109213046

IUPAC4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)NCc3cccnc3)c2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-18-6-5-15(11-19(18)27-2)24-16-7-9-22-17(10-16)20(25)23-13-14-4-3-8-21-12-14/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCSSHGFYBXMAXBN-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.17
Rot. Bonds7

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

4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 109213046) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID109213046
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccnc(C(=O)NCc3cccnc3)c2)cc1OC
InChIInChI=1S/C20H20N4O3/c1-26-18-6-5-15(11-19(18)27-2)24-16-7-9-22-17(10-16)20(25)23-13-14-4-3-8-21-12-14/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25)
InChIKeyCSSHGFYBXMAXBN-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

2-N-(3,4-dimethoxyphenyl)-4-N-(pyridin-3-ylmethyl)pyridine-2,4-dicarboxamide
CID 109087380
4-(3,4-dichloroanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213080
4-(4-chloro-2-methoxy-5-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213087
4-(4-propan-2-yloxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109213043
5-[(3,4-dimethoxyphenyl)methylamino]-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191185
N-(pyridin-3-ylmethyl)-4-[4-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109213049
N-[(3,4-dimethoxyphenyl)methyl]-4-(4-fluoroanilino)pyridine-2-carboxamide
CID 109215529
4-(2-methylanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109212998
4-(propylamino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 62185886
4-(benzylamino)-N-[(3,4-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 109209796
5-(2,5-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191257
5-(4-methoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 109191251

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 109213046) is 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is COc1ccc(Nc2ccnc(C(=O)NCc3cccnc3)c2)cc1OC.
What is the InChIKey of 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is CSSHGFYBXMAXBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-18-6-5-15(11-19(18)27-2)24-16-7-9-22-17(10-16)20(25)23-13-14-4-3-8-21-12-14/h3-12H,13H2,1-2H3,(H,22,24)(H,23,25).
What are the key properties of 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-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 4-(3,4-dimethoxyanilino)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 109213046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).