(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide

C25H25N5O6 — CID 25095671

IUPAC(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1ccc2nccc(N3CC[C@H](NC(=O)[C@@H]4CN(c5ccc6c(c5)OCCO6)C(=O)O4)C3)c2n1
InChIInChI=1S/C25H25N5O6/c1-33-22-5-3-17-23(28-22)18(6-8-26-17)29-9-7-15(13-29)27-24(31)21-14-30(25(32)36-21)16-2-4-19-20(12-16)35-11-10-34-19/h2-6,8,12,15,21H,7,9-11,13-14H2,1H3,(H,27,31)/t15-,21-/m0/s1
InChIKeyFWUFABZBZQIISP-BTYIYWSLSA-N
MW491.50 g/mol
LogP2.13
Rot. Bonds5

About (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 25095671) has the molecular formula C25H25N5O6 and a molecular weight of 491.50 g/mol. Its IUPAC name is (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID25095671
Molecular FormulaC25H25N5O6
Molecular Weight491.50 g/mol
Exact Mass491.18
IUPAC Name(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCOc1ccc2nccc(N3CC[C@H](NC(=O)[C@@H]4CN(c5ccc6c(c5)OCCO6)C(=O)O4)C3)c2n1
InChIInChI=1S/C25H25N5O6/c1-33-22-5-3-17-23(28-22)18(6-8-26-17)29-9-7-15(13-29)27-24(31)21-14-30(25(32)36-21)16-2-4-19-20(12-16)35-11-10-34-19/h2-6,8,12,15,21H,7,9-11,13-14H2,1H3,(H,27,31)/t15-,21-/m0/s1
InChIKeyFWUFABZBZQIISP-BTYIYWSLSA-N
XLogP2.13
TPSA115.35 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.50
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 25095671) is (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide is COc1ccc2nccc(N3CC[C@H](NC(=O)[C@@H]4CN(c5ccc6c(c5)OCCO6)C(=O)O4)C3)c2n1.
What is the InChIKey of (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is FWUFABZBZQIISP-BTYIYWSLSA-N. The full InChI is InChI=1S/C25H25N5O6/c1-33-22-5-3-17-23(28-22)18(6-8-26-17)29-9-7-15(13-29)27-24(31)21-14-30(25(32)36-21)16-2-4-19-20(12-16)35-11-10-34-19/h2-6,8,12,15,21H,7,9-11,13-14H2,1H3,(H,27,31)/t15-,21-/m0/s1.
What are the key properties of (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 491.50 g/mol, XLogP of 2.13, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3S)-1-(6-methoxy-1,5-naphthyridin-4-yl)pyrrolidin-3-yl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 25095671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).