N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide

C22H20N4O3 — CID 170560299

IUPACN,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1nccc(Cn2ccc3cc(-c4conc4C)ccc3c2=O)c1C
InChIInChI=1S/C22H20N4O3/c1-13-17(6-8-24-20(13)21(27)23-3)11-26-9-7-16-10-15(4-5-18(16)22(26)28)19-12-29-25-14(19)2/h4-10,12H,11H2,1-3H3,(H,23,27)
InChIKeyQCAFSODOSZVLMB-UHFFFAOYSA-N
MW388.43 g/mol
LogP3.08
Rot. Bonds4

About N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide

N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 170560299) has the molecular formula C22H20N4O3 and a molecular weight of 388.43 g/mol. Its IUPAC name is N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide
PubChem CID170560299
Molecular FormulaC22H20N4O3
Molecular Weight388.43 g/mol
Exact Mass388.15
IUPAC NameN,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1nccc(Cn2ccc3cc(-c4conc4C)ccc3c2=O)c1C
InChIInChI=1S/C22H20N4O3/c1-13-17(6-8-24-20(13)21(27)23-3)11-26-9-7-16-10-15(4-5-18(16)22(26)28)19-12-29-25-14(19)2/h4-10,12H,11H2,1-3H3,(H,23,27)
InChIKeyQCAFSODOSZVLMB-UHFFFAOYSA-N
XLogP3.08
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide (CID 170560299) is N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide is CNC(=O)c1nccc(Cn2ccc3cc(-c4conc4C)ccc3c2=O)c1C.
What is the InChIKey of N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is QCAFSODOSZVLMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O3/c1-13-17(6-8-24-20(13)21(27)23-3)11-26-9-7-16-10-15(4-5-18(16)22(26)28)19-12-29-25-14(19)2/h4-10,12H,11H2,1-3H3,(H,23,27).
What are the key properties of N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide?
N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 170560299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).