N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide

C25H23N5O4 — CID 44633766

IUPACN-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCOc1cncc(-c2cnc(-c3ccccn3)c(C(=O)NCc3ccc(OC)c(OC)n3)c2)c1
InChIInChI=1S/C25H23N5O4/c1-32-19-10-16(12-26-15-19)17-11-20(23(28-13-17)21-6-4-5-9-27-21)24(31)29-14-18-7-8-22(33-2)25(30-18)34-3/h4-13,15H,14H2,1-3H3,(H,29,31)
InChIKeyRBZZDTBSGLINNA-UHFFFAOYSA-N
MW457.49 g/mol
LogP3.56
Rot. Bonds8

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide (PubChem CID 44633766) has the molecular formula C25H23N5O4 and a molecular weight of 457.49 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
PubChem CID44633766
Molecular FormulaC25H23N5O4
Molecular Weight457.49 g/mol
Exact Mass457.18
IUPAC NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide
SMILESCOc1cncc(-c2cnc(-c3ccccn3)c(C(=O)NCc3ccc(OC)c(OC)n3)c2)c1
InChIInChI=1S/C25H23N5O4/c1-32-19-10-16(12-26-15-19)17-11-20(23(28-13-17)21-6-4-5-9-27-21)24(31)29-14-18-7-8-22(33-2)25(30-18)34-3/h4-13,15H,14H2,1-3H3,(H,29,31)
InChIKeyRBZZDTBSGLINNA-UHFFFAOYSA-N
XLogP3.56
TPSA108.35 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.49
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide with MolForge

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Related Compounds

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyridin-2-ylpyridine-4-carboxamide
CID 118715609
(5,6-dimethoxy-2-pyridinyl)methanamine;N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxamide;2-(3-fluorophenyl)-5-(5-methyl-3-pyridinyl)pyridine-3-carboxylic acid;hydrochloride
CID 159505964
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-3-pyridin-2-yl-1,2-thiazole-5-carboxamide
CID 53141242
5-chloro-2-methoxy-N-[(2-pyridin-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 108770761
N-[[4-(2-fluoroethoxy)-3-methoxyphenyl]methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 177460304
5-tert-butyl-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110761323
2-(3-methoxyphenyl)-6-methyl-N-(pyridin-2-ylmethyl)quinoline-4-carboxamide
CID 42750059
2,5-dimethoxy-4-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 110763244
5-acetamido-2-methoxy-N-(pyridin-2-ylmethyl)benzamide
CID 110764476
5-(4-methoxyanilino)-N-(pyridin-2-ylmethyl)pyridine-3-carboxamide
CID 109234998
5-(4-methoxyphenyl)-N-[(4-methoxy-2-pyridinyl)methyl]pyridine-3-carboxamide
CID 136518818
6-(3-methoxyphenyl)-1-methyl-N-(pyridin-2-ylmethyl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 134803194

Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide (CID 44633766) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide is COc1cncc(-c2cnc(-c3ccccn3)c(C(=O)NCc3ccc(OC)c(OC)n3)c2)c1.
What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
The InChIKey is RBZZDTBSGLINNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O4/c1-32-19-10-16(12-26-15-19)17-11-20(23(28-13-17)21-6-4-5-9-27-21)24(31)29-14-18-7-8-22(33-2)25(30-18)34-3/h4-13,15H,14H2,1-3H3,(H,29,31).
What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide?
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide has a molecular weight of 457.49 g/mol, XLogP of 3.56, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methoxy-3-pyridinyl)-2-pyridin-2-ylpyridine-3-carboxamide is sourced from PubChem (CID 44633766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).