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

C21H18N4O3 — CID 164572486

IUPACN-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cn2ccc3cc(-c4conc4C)ccc3c2=O)ccn1
InChIInChI=1S/C21H18N4O3/c1-13-18(12-28-24-13)15-3-4-17-16(10-15)6-8-25(21(17)27)11-14-5-7-23-19(9-14)20(26)22-2/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyQNBIRGFCTNXVQN-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.77
Rot. Bonds4

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

N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide (PubChem CID 164572486) has the molecular formula C21H18N4O3 and a molecular weight of 374.40 g/mol. Its IUPAC name is N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide
PubChem CID164572486
Molecular FormulaC21H18N4O3
Molecular Weight374.40 g/mol
Exact Mass374.14
IUPAC NameN-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide
SMILESCNC(=O)c1cc(Cn2ccc3cc(-c4conc4C)ccc3c2=O)ccn1
InChIInChI=1S/C21H18N4O3/c1-13-18(12-28-24-13)15-3-4-17-16(10-15)6-8-25(21(17)27)11-14-5-7-23-19(9-14)20(26)22-2/h3-10,12H,11H2,1-2H3,(H,22,26)
InChIKeyQNBIRGFCTNXVQN-UHFFFAOYSA-N
XLogP2.77
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide (CID 164572486) is N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide is CNC(=O)c1cc(Cn2ccc3cc(-c4conc4C)ccc3c2=O)ccn1.
What is the InChIKey of N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide?
The InChIKey is QNBIRGFCTNXVQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4O3/c1-13-18(12-28-24-13)15-3-4-17-16(10-15)6-8-25(21(17)27)11-14-5-7-23-19(9-14)20(26)22-2/h3-10,12H,11H2,1-2H3,(H,22,26).
What are the key properties of N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide?
N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide has a molecular weight of 374.40 g/mol, XLogP of 2.77, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[6-(3-methyl-1,2-oxazol-4-yl)-1-oxoisoquinolin-2-yl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 164572486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).