5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide

C23H25N5O3 — CID 46191727

IUPAC5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCC2)nc1OC
InChIInChI=1S/C23H25N5O3/c1-15-9-16(12-24-11-15)19-10-18(20(14-25-19)28-7-4-8-28)22(29)26-13-17-5-6-21(30-2)23(27-17)31-3/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,26,29)
InChIKeyXAASINBHSOGOIV-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.00
Rot. Bonds7

About 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide

5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide (PubChem CID 46191727) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
PubChem CID46191727
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCC2)nc1OC
InChIInChI=1S/C23H25N5O3/c1-15-9-16(12-24-11-15)19-10-18(20(14-25-19)28-7-4-8-28)22(29)26-13-17-5-6-21(30-2)23(27-17)31-3/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,26,29)
InChIKeyXAASINBHSOGOIV-UHFFFAOYSA-N
XLogP3.00
TPSA89.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide with MolForge

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Related Compounds

Mk-1064
CID 44633765
2-(4-(2-(5,6-dimethoxypyridin-3-yl)-5-oxo-5H-pyrrolo[3,4-b]pyridin-6(7H)-yl)-1H-pyrazol-1-yl)acetonitrile
CID 53327269
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylpyridine-3-carboxamide
CID 25225718
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(3-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 45375925
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-phenylpyridine-4-carboxamide
CID 46190694
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(5-methyl-3-pyridinyl)-2-phenylbenzamide
CID 46195690
5-(3,6-diazabicyclo[3.1.1]heptan-3-yl)-N-(3,4-dimethoxyphenyl)pyridine-3-carboxamide
CID 155529322
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5-(2-fluorophenyl)-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide
CID 46191662
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)-5-pyrazin-2-ylpyridine-4-carboxamide
CID 46191726
N-[(5,6-dimethoxypyridin-2-yl)methyl]-6-(5-methylpyridin-3-yl)-3-phenylpyrazine-2-carboxamide
CID 49793266
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-5'-methyl-5-(1-pyrrolidinyl)-2,3'-bipyridine-4-carboxamide
CID 58394291
2-(5,6-dimethoxy-3-pyridinyl)-6-(1-ethylpyrazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-one
CID 68045063

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide (CID 46191727) is 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)ncc2N2CCC2)nc1OC.
What is the InChIKey of 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
The InChIKey is XAASINBHSOGOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-15-9-16(12-24-11-15)19-10-18(20(14-25-19)28-7-4-8-28)22(29)26-13-17-5-6-21(30-2)23(27-17)31-3/h5-6,9-12,14H,4,7-8,13H2,1-3H3,(H,26,29).
What are the key properties of 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide?
5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide has a molecular weight of 419.49 g/mol, XLogP of 3.00, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-1-yl)-N-[(5,6-dimethoxy-2-pyridinyl)methyl]-2-(5-methyl-3-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 46191727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).