benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate

C18H17N3O4 — CID 162470203

IUPACbenzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate
SMILESCOc1ccc2c(n1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C=C2
InChIInChI=1S/C18H17N3O4/c1-24-15-10-8-13-7-9-14(17(22)21-16(13)20-15)19-18(23)25-11-12-5-3-2-4-6-12/h2-10,14H,11H2,1H3,(H,19,23)(H,20,21,22)/t14-/m0/s1
InChIKeyRRAGDOXVXZLJEQ-AWEZNQCLSA-N
MW339.35 g/mol
LogP2.35
Rot. Bonds4

About benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate

benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate (PubChem CID 162470203) has the molecular formula C18H17N3O4 and a molecular weight of 339.35 g/mol. Its IUPAC name is benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate
PubChem CID162470203
Molecular FormulaC18H17N3O4
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Namebenzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate
SMILESCOc1ccc2c(n1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C=C2
InChIInChI=1S/C18H17N3O4/c1-24-15-10-8-13-7-9-14(17(22)21-16(13)20-15)19-18(23)25-11-12-5-3-2-4-6-12/h2-10,14H,11H2,1H3,(H,19,23)(H,20,21,22)/t14-/m0/s1
InChIKeyRRAGDOXVXZLJEQ-AWEZNQCLSA-N
XLogP2.35
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate?
The IUPAC name of benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate (CID 162470203) is benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate.
What is the SMILES notation for benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate?
The canonical SMILES for benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate is COc1ccc2c(n1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C=C2.
What is the InChIKey of benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate?
The InChIKey is RRAGDOXVXZLJEQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17N3O4/c1-24-15-10-8-13-7-9-14(17(22)21-16(13)20-15)19-18(23)25-11-12-5-3-2-4-6-12/h2-10,14H,11H2,1H3,(H,19,23)(H,20,21,22)/t14-/m0/s1.
What are the key properties of benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate?
benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate has a molecular weight of 339.35 g/mol, XLogP of 2.35, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(7S)-2-methoxy-8-oxo-7,9-dihydropyrido[2,3-b]azepin-7-yl]carbamate is sourced from PubChem (CID 162470203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).