5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide

C15H19N5O2 — CID 118739431

IUPAC5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC2COCc3c(C)nnn3C2)c1
InChIInChI=1S/C15H19N5O2/c1-10-3-13(6-16-4-10)15(21)17-5-12-7-20-14(9-22-8-12)11(2)18-19-20/h3-4,6,12H,5,7-9H2,1-2H3,(H,17,21)
InChIKeyOGQMHPZPXLQTQC-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.87
Rot. Bonds3

About 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide

5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide (PubChem CID 118739431) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide
PubChem CID118739431
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide
SMILESCc1cncc(C(=O)NCC2COCc3c(C)nnn3C2)c1
InChIInChI=1S/C15H19N5O2/c1-10-3-13(6-16-4-10)15(21)17-5-12-7-20-14(9-22-8-12)11(2)18-19-20/h3-4,6,12H,5,7-9H2,1-2H3,(H,17,21)
InChIKeyOGQMHPZPXLQTQC-UHFFFAOYSA-N
XLogP0.87
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide?
The IUPAC name of 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide (CID 118739431) is 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide?
The canonical SMILES for 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide is Cc1cncc(C(=O)NCC2COCc3c(C)nnn3C2)c1.
What is the InChIKey of 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide?
The InChIKey is OGQMHPZPXLQTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c1-10-3-13(6-16-4-10)15(21)17-5-12-7-20-14(9-22-8-12)11(2)18-19-20/h3-4,6,12H,5,7-9H2,1-2H3,(H,17,21).
What are the key properties of 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide?
5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.87, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[(3-methyl-4,6,7,8-tetrahydrotriazolo[5,1-c][1,4]oxazepin-7-yl)methyl]pyridine-3-carboxamide is sourced from PubChem (CID 118739431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).