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

C24H28N4O2 — CID 137426644

IUPACN-[2-(1-cyclopropyl-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)cc(C3CC3)c12
InChIInChI=1S/C24H28N4O2/c1-15-5-4-11-28-19(13-18(21(15)28)16-6-7-16)24(2,3)27-23(29)20-22-17(8-9-26-20)14-25-10-12-30-22/h4-5,8-9,11,13,16,25H,6-7,10,12,14H2,1-3H3,(H,27,29)
InChIKeyIOXMEBUDGSXYCS-UHFFFAOYSA-N
MW404.51 g/mol
LogP3.67
Rot. Bonds4

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

N-[2-(1-cyclopropyl-8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (PubChem CID 137426644) has the molecular formula C24H28N4O2 and a molecular weight of 404.51 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-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-(1-cyclopropyl-8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
PubChem CID137426644
Molecular FormulaC24H28N4O2
Molecular Weight404.51 g/mol
Exact Mass404.22
IUPAC NameN-[2-(1-cyclopropyl-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)cc(C3CC3)c12
InChIInChI=1S/C24H28N4O2/c1-15-5-4-11-28-19(13-18(21(15)28)16-6-7-16)24(2,3)27-23(29)20-22-17(8-9-26-20)14-25-10-12-30-22/h4-5,8-9,11,13,16,25H,6-7,10,12,14H2,1-3H3,(H,27,29)
InChIKeyIOXMEBUDGSXYCS-UHFFFAOYSA-N
XLogP3.67
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.51
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-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-(1-cyclopropyl-8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (CID 137426644) is N-[2-(1-cyclopropyl-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-(1-cyclopropyl-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-(1-cyclopropyl-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)cc(C3CC3)c12.
What is the InChIKey of N-[2-(1-cyclopropyl-8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The InChIKey is IOXMEBUDGSXYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2/c1-15-5-4-11-28-19(13-18(21(15)28)16-6-7-16)24(2,3)27-23(29)20-22-17(8-9-26-20)14-25-10-12-30-22/h4-5,8-9,11,13,16,25H,6-7,10,12,14H2,1-3H3,(H,27,29).
What are the key properties of N-[2-(1-cyclopropyl-8-methylindolizin-3-yl)propan-2-yl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
N-[2-(1-cyclopropyl-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 404.51 g/mol, XLogP of 3.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-cyclopropyl-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 137426644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).