N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide

C21H24N4O2 — CID 121339326

IUPACN-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)ccc12
InChIInChI=1S/C21H24N4O2/c1-14-5-4-11-25-16(14)6-7-17(25)21(2,3)24-20(26)18-19-15(8-9-23-18)13-22-10-12-27-19/h4-9,11,22H,10,12-13H2,1-3H3,(H,24,26)
InChIKeyPYLWZDWGNJWMPA-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.79
Rot. Bonds3

About N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide

N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (PubChem CID 121339326) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
PubChem CID121339326
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
SMILESCc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)ccc12
InChIInChI=1S/C21H24N4O2/c1-14-5-4-11-25-16(14)6-7-17(25)21(2,3)24-20(26)18-19-15(8-9-23-18)13-22-10-12-27-19/h4-9,11,22H,10,12-13H2,1-3H3,(H,24,26)
InChIKeyPYLWZDWGNJWMPA-UHFFFAOYSA-N
XLogP2.79
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The IUPAC name of N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (CID 121339326) is N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide.
What is the SMILES notation for N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The canonical SMILES for N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide is Cc1cccn2c(C(C)(C)NC(=O)c3nccc4c3OCCNC4)ccc12.
What is the InChIKey of N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The InChIKey is PYLWZDWGNJWMPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-5-4-11-25-16(14)6-7-17(25)21(2,3)24-20(26)18-19-15(8-9-23-18)13-22-10-12-27-19/h4-9,11,22H,10,12-13H2,1-3H3,(H,24,26).
What are the key properties of N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 2.79, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide is sourced from PubChem (CID 121339326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).