benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate

C20H23N3O4 — CID 170959571

IUPACbenzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate
SMILESCCCOc1cc2c(cn1)CN(CCNC(=O)OCc1ccccc1)C2=O
InChIInChI=1S/C20H23N3O4/c1-2-10-26-18-11-17-16(12-22-18)13-23(19(17)24)9-8-21-20(25)27-14-15-6-4-3-5-7-15/h3-7,11-12H,2,8-10,13-14H2,1H3,(H,21,25)
InChIKeyUNSAQRLYMSJHEL-UHFFFAOYSA-N
MW369.42 g/mol
LogP2.75
Rot. Bonds8

About benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate

benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate (PubChem CID 170959571) has the molecular formula C20H23N3O4 and a molecular weight of 369.42 g/mol. Its IUPAC name is benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate
PubChem CID170959571
Molecular FormulaC20H23N3O4
Molecular Weight369.42 g/mol
Exact Mass369.17
IUPAC Namebenzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate
SMILESCCCOc1cc2c(cn1)CN(CCNC(=O)OCc1ccccc1)C2=O
InChIInChI=1S/C20H23N3O4/c1-2-10-26-18-11-17-16(12-22-18)13-23(19(17)24)9-8-21-20(25)27-14-15-6-4-3-5-7-15/h3-7,11-12H,2,8-10,13-14H2,1H3,(H,21,25)
InChIKeyUNSAQRLYMSJHEL-UHFFFAOYSA-N
XLogP2.75
TPSA80.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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benzyl N-[4-(2-chloropyrimidin-5-yl)but-3-enyl]carbamate
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benzyl N-[4-[2-(dimethylamino)pyrimidin-5-yl]but-3-enyl]carbamate
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methyl 5-[4-(phenylmethoxycarbonylamino)but-1-enyl]pyrimidine-2-carboxylate
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benzyl N-(3-deuteriopropyl)carbamate
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benzyl N-[4-(4-propylphenyl)but-3-enyl]carbamate
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benzyl N-[4-(2H-benzotriazol-5-yl)but-3-enyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate?
The IUPAC name of benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate (CID 170959571) is benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate.
What is the SMILES notation for benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate?
The canonical SMILES for benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate is CCCOc1cc2c(cn1)CN(CCNC(=O)OCc1ccccc1)C2=O.
What is the InChIKey of benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate?
The InChIKey is UNSAQRLYMSJHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O4/c1-2-10-26-18-11-17-16(12-22-18)13-23(19(17)24)9-8-21-20(25)27-14-15-6-4-3-5-7-15/h3-7,11-12H,2,8-10,13-14H2,1H3,(H,21,25).
What are the key properties of benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate?
benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate has a molecular weight of 369.42 g/mol, XLogP of 2.75, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[2-(1-oxo-6-propoxy-3H-pyrrolo[3,4-c]pyridin-2-yl)ethyl]carbamate is sourced from PubChem (CID 170959571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).