N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C27H23N5O4 — CID 71555054

IUPACN-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)nc1OC
InChIInChI=1S/C27H23N5O4/c1-16-11-18(14-28-13-16)21-12-20(23-24(32-36-27(23)31-21)17-7-5-4-6-8-17)25(33)29-15-19-9-10-22(34-2)26(30-19)35-3/h4-14H,15H2,1-3H3,(H,29,33)
InChIKeyWHZWFYAFOHLVJV-UHFFFAOYSA-N
MW481.51 g/mol
LogP4.60
Rot. Bonds7

About N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 71555054) has the molecular formula C27H23N5O4 and a molecular weight of 481.51 g/mol. Its IUPAC name is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID71555054
Molecular FormulaC27H23N5O4
Molecular Weight481.51 g/mol
Exact Mass481.18
IUPAC NameN-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)nc1OC
InChIInChI=1S/C27H23N5O4/c1-16-11-18(14-28-13-16)21-12-20(23-24(32-36-27(23)31-21)17-7-5-4-6-8-17)25(33)29-15-19-9-10-22(34-2)26(30-19)35-3/h4-14H,15H2,1-3H3,(H,29,33)
InChIKeyWHZWFYAFOHLVJV-UHFFFAOYSA-N
XLogP4.60
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.51
LogP ≤ 54.60
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]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 71555054) is N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(CNC(=O)c2cc(-c3cncc(C)c3)nc3onc(-c4ccccc4)c23)nc1OC.
What is the InChIKey of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is WHZWFYAFOHLVJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N5O4/c1-16-11-18(14-28-13-16)21-12-20(23-24(32-36-27(23)31-21)17-7-5-4-6-8-17)25(33)29-15-19-9-10-22(34-2)26(30-19)35-3/h4-14H,15H2,1-3H3,(H,29,33).
What are the key properties of N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
N-[(5,6-dimethoxy-2-pyridinyl)methyl]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 481.51 g/mol, XLogP of 4.60, 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]-6-(5-methyl-3-pyridinyl)-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 71555054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).