cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C17H16N6O3 — CID 135344602

IUPACcis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESC[C@H]1COC(=O)N1c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1
InChIInChI=1S/C17H16N6O3/c1-8-7-26-17(25)23(8)14-4-9-3-13(20-6-12(9)15(19)22-14)21-16(24)11-2-10(11)5-18/h3-4,6,8,10-11H,2,7H2,1H3,(H2,19,22)(H,20,21,24)/t8-,10-,11+/m0/s1
InChIKeyJKIQBOGGRCKHBX-INTQDDNPSA-N
MW352.35 g/mol
LogP1.66
Rot. Bonds3

About cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 135344602) has the molecular formula C17H16N6O3 and a molecular weight of 352.35 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID135344602
Molecular FormulaC17H16N6O3
Molecular Weight352.35 g/mol
Exact Mass352.13
IUPAC Namecis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESC[C@H]1COC(=O)N1c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1
InChIInChI=1S/C17H16N6O3/c1-8-7-26-17(25)23(8)14-4-9-3-13(20-6-12(9)15(19)22-14)21-16(24)11-2-10(11)5-18/h3-4,6,8,10-11H,2,7H2,1H3,(H2,19,22)(H,20,21,24)/t8-,10-,11+/m0/s1
InChIKeyJKIQBOGGRCKHBX-INTQDDNPSA-N
XLogP1.66
TPSA134.23 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 135344602) is cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is C[C@H]1COC(=O)N1c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.
What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is JKIQBOGGRCKHBX-INTQDDNPSA-N. The full InChI is InChI=1S/C17H16N6O3/c1-8-7-26-17(25)23(8)14-4-9-3-13(20-6-12(9)15(19)22-14)21-16(24)11-2-10(11)5-18/h3-4,6,8,10-11H,2,7H2,1H3,(H2,19,22)(H,20,21,24)/t8-,10-,11+/m0/s1.
What are the key properties of cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 352.35 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1R,2R)-N-[8-amino-6-[(4S)-4-methyl-2-oxo-1,3-oxazolidin-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 135344602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).