N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

C26H32N4O4 — CID 155195435

IUPACN-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCCN1CCO[C@@H]2c3cc(OCCCCNC(=O)c4cc5cccnc5[nH]4)ccc3OC[C@H]21
InChIInChI=1S/C26H32N4O4/c1-2-11-30-12-14-33-24-20-16-19(7-8-23(20)34-17-22(24)30)32-13-4-3-9-28-26(31)21-15-18-6-5-10-27-25(18)29-21/h5-8,10,15-16,22,24H,2-4,9,11-14,17H2,1H3,(H,27,29)(H,28,31)/t22-,24-/m1/s1
InChIKeyODGRZYYSJPOCQE-ISKFKSNPSA-N
MW464.57 g/mol
LogP3.70
Rot. Bonds9

About N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide

N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (PubChem CID 155195435) has the molecular formula C26H32N4O4 and a molecular weight of 464.57 g/mol. Its IUPAC name is N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
PubChem CID155195435
Molecular FormulaC26H32N4O4
Molecular Weight464.57 g/mol
Exact Mass464.24
IUPAC NameN-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide
SMILESCCCN1CCO[C@@H]2c3cc(OCCCCNC(=O)c4cc5cccnc5[nH]4)ccc3OC[C@H]21
InChIInChI=1S/C26H32N4O4/c1-2-11-30-12-14-33-24-20-16-19(7-8-23(20)34-17-22(24)30)32-13-4-3-9-28-26(31)21-15-18-6-5-10-27-25(18)29-21/h5-8,10,15-16,22,24H,2-4,9,11-14,17H2,1H3,(H,27,29)(H,28,31)/t22-,24-/m1/s1
InChIKeyODGRZYYSJPOCQE-ISKFKSNPSA-N
XLogP3.70
TPSA88.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The IUPAC name of N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide (CID 155195435) is N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide.
What is the SMILES notation for N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The canonical SMILES for N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is CCCN1CCO[C@@H]2c3cc(OCCCCNC(=O)c4cc5cccnc5[nH]4)ccc3OC[C@H]21.
What is the InChIKey of N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
The InChIKey is ODGRZYYSJPOCQE-ISKFKSNPSA-N. The full InChI is InChI=1S/C26H32N4O4/c1-2-11-30-12-14-33-24-20-16-19(7-8-23(20)34-17-22(24)30)32-13-4-3-9-28-26(31)21-15-18-6-5-10-27-25(18)29-21/h5-8,10,15-16,22,24H,2-4,9,11-14,17H2,1H3,(H,27,29)(H,28,31)/t22-,24-/m1/s1.
What are the key properties of N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide?
N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide has a molecular weight of 464.57 g/mol, XLogP of 3.70, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4aR,10bR)-4-propyl-3,4a,5,10b-tetrahydro-2H-chromeno[4,3-b][1,4]oxazin-9-yl]oxy]butyl]-1H-pyrrolo[2,3-b]pyridine-2-carboxamide is sourced from PubChem (CID 155195435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).