N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide

C24H22N6O3 — CID 46191726

IUPACN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC
InChIInChI=1S/C24H22N6O3/c1-15-8-16(11-26-10-15)20-9-18(19(13-28-20)21-14-25-6-7-27-21)23(31)29-12-17-4-5-22(32-2)24(30-17)33-3/h4-11,13-14H,12H2,1-3H3,(H,29,31)
InChIKeyOJJNSRCTOROYOQ-UHFFFAOYSA-N
MW442.48 g/mol
LogP3.25
Rot. Bonds7

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide (PubChem CID 46191726) has the molecular formula C24H22N6O3 and a molecular weight of 442.48 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide
PubChem CID46191726
Molecular FormulaC24H22N6O3
Molecular Weight442.48 g/mol
Exact Mass442.18
IUPAC NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC
InChIInChI=1S/C24H22N6O3/c1-15-8-16(11-26-10-15)20-9-18(19(13-28-20)21-14-25-6-7-27-21)23(31)29-12-17-4-5-22(32-2)24(30-17)33-3/h4-11,13-14H,12H2,1-3H3,(H,29,31)
InChIKeyOJJNSRCTOROYOQ-UHFFFAOYSA-N
XLogP3.25
TPSA112.01 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.48
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide?
The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide (CID 46191726) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide?
The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2-c2cnccn2)nc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide?
The InChIKey is OJJNSRCTOROYOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O3/c1-15-8-16(11-26-10-15)20-9-18(19(13-28-20)21-14-25-6-7-27-21)23(31)29-12-17-4-5-22(32-2)24(30-17)33-3/h4-11,13-14H,12H2,1-3H3,(H,29,31).
What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide?
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide has a molecular weight of 442.48 g/mol, XLogP of 3.25, 7 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]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide is sourced from PubChem (CID 46191726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).