propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate

C20H23N3O4 — CID 11581473

IUPACpropan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
SMILESCOCCOc1cccc(-c2cc3cc(NC(=O)OC(C)C)cnc3[nH]2)c1
InChIInChI=1S/C20H23N3O4/c1-13(2)27-20(24)22-16-9-15-11-18(23-19(15)21-12-16)14-5-4-6-17(10-14)26-8-7-25-3/h4-6,9-13H,7-8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRIXPNCHZCXAFDN-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.21
Rot. Bonds7

About propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate

propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate (PubChem CID 11581473) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate.

Molecular Properties

Compound Namepropan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
PubChem CID11581473
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namepropan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate
SMILESCOCCOc1cccc(-c2cc3cc(NC(=O)OC(C)C)cnc3[nH]2)c1
InChIInChI=1S/C20H23N3O4/c1-13(2)27-20(24)22-16-9-15-11-18(23-19(15)21-12-16)14-5-4-6-17(10-14)26-8-7-25-3/h4-6,9-13H,7-8H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyRIXPNCHZCXAFDN-UHFFFAOYSA-N
XLogP4.21
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

potassium;2-[3-(2-methoxyethoxy)phenyl]-5-nitro-1H-pyrrolo[2,3-b]pyridine;2-methylpropan-2-olate
CID 69109687
N-[2-(3-acetamidophenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-2-methoxybenzamide
CID 11646996
N-(2-acetyl-1H-pyrrolo[2,3-b]pyridin-5-yl)-4-(2-methoxyethoxy)benzamide
CID 163978628
N-[3-(2-methoxyethoxy)phenyl]-1H-pyrazole-4-carboxamide
CID 54867752
(2S)-2-amino-N-[3-(2-methoxyethoxy)phenyl]propanamide;hydrochloride
CID 119289412
3-amino-N-[3-(2-methoxyethoxy)phenyl]butanamide
CID 54862322
2,2,2-trifluoroethyl N-[3-(2-methoxyethoxy)phenyl]carbamate
CID 65173322
2-chloro-N-[3-(2-methoxyethoxy)phenyl]benzamide
CID 17169773
methyl 2-[3-(2-methoxyethoxy)anilino]butanoate
CID 115353122
3-(2-methoxyethoxy)-N-[4-(1H-1,2,4-triazol-5-yl)phenyl]benzamide
CID 56787185
4-chloro-N-[3-(2-methoxyethoxy)phenyl]pyridine-2-carboxamide
CID 61041653
1-(1-hydroxy-3-methylpentan-2-yl)-3-[3-(2-methoxyethoxy)phenyl]urea
CID 56795144

Frequently Asked Questions

What is the IUPAC name of propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The IUPAC name of propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate (CID 11581473) is propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate.
What is the SMILES notation for propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The canonical SMILES for propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate is COCCOc1cccc(-c2cc3cc(NC(=O)OC(C)C)cnc3[nH]2)c1.
What is the InChIKey of propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
The InChIKey is RIXPNCHZCXAFDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-13(2)27-20(24)22-16-9-15-11-18(23-19(15)21-12-16)14-5-4-6-17(10-14)26-8-7-25-3/h4-6,9-13H,7-8H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate?
propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 4.21, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl N-[2-[3-(2-methoxyethoxy)phenyl]-1H-pyrrolo[2,3-b]pyridin-5-yl]carbamate is sourced from PubChem (CID 11581473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).