N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide

C25H28N6O3 — CID 168984419

IUPACN-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4c5c(c(=O)[nH]c4c3)OCCC5)[C@H]3CC[C@H]32)cn1
InChIInChI=1S/C25H28N6O3/c1-26-24(32)18-5-4-16(13-27-18)31-9-8-30(20-6-7-21(20)31)14-15-11-19-22(28-12-15)17-3-2-10-34-23(17)25(33)29-19/h4-5,11-13,20-21H,2-3,6-10,14H2,1H3,(H,26,32)(H,29,33)/t20-,21+/m0/s1
InChIKeyNVELEVIIIBFNQK-LEWJYISDSA-N
MW460.54 g/mol
LogP1.86
Rot. Bonds4

About N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide

N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide (PubChem CID 168984419) has the molecular formula C25H28N6O3 and a molecular weight of 460.54 g/mol. Its IUPAC name is N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide
PubChem CID168984419
Molecular FormulaC25H28N6O3
Molecular Weight460.54 g/mol
Exact Mass460.22
IUPAC NameN-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide
SMILESCNC(=O)c1ccc(N2CCN(Cc3cnc4c5c(c(=O)[nH]c4c3)OCCC5)[C@H]3CC[C@H]32)cn1
InChIInChI=1S/C25H28N6O3/c1-26-24(32)18-5-4-16(13-27-18)31-9-8-30(20-6-7-21(20)31)14-15-11-19-22(28-12-15)17-3-2-10-34-23(17)25(33)29-19/h4-5,11-13,20-21H,2-3,6-10,14H2,1H3,(H,26,32)(H,29,33)/t20-,21+/m0/s1
InChIKeyNVELEVIIIBFNQK-LEWJYISDSA-N
XLogP1.86
TPSA103.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.54
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide?
The IUPAC name of N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide (CID 168984419) is N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide?
The canonical SMILES for N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide is CNC(=O)c1ccc(N2CCN(Cc3cnc4c5c(c(=O)[nH]c4c3)OCCC5)[C@H]3CC[C@H]32)cn1.
What is the InChIKey of N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide?
The InChIKey is NVELEVIIIBFNQK-LEWJYISDSA-N. The full InChI is InChI=1S/C25H28N6O3/c1-26-24(32)18-5-4-16(13-27-18)31-9-8-30(20-6-7-21(20)31)14-15-11-19-22(28-12-15)17-3-2-10-34-23(17)25(33)29-19/h4-5,11-13,20-21H,2-3,6-10,14H2,1H3,(H,26,32)(H,29,33)/t20-,21+/m0/s1.
What are the key properties of N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide?
N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide has a molecular weight of 460.54 g/mol, XLogP of 1.86, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[(1R,6S)-5-[(6-oxo-5,8,9,10-tetrahydropyrano[2,3-c][1,5]naphthyridin-3-yl)methyl]-2,5-diazabicyclo[4.2.0]octan-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 168984419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).