N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C35H46N8O5 — CID 170141886

IUPACN-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC(=O)N1C(ONC(=O)c2cnc3c(c2)CN(CC24CC2CCN4C(C)C)CC3)CC2CC21CN1CCc2ncc(C(=O)NO)cc2C1
InChIInChI=1S/C35H46N8O5/c1-21(2)42-9-4-27-13-34(27,42)19-40-7-5-30-26(17-40)11-24(16-37-30)33(46)39-48-31-12-28-14-35(28,43(31)22(3)44)20-41-8-6-29-25(18-41)10-23(15-36-29)32(45)38-47/h10-11,15-16,21,27-28,31,47H,4-9,12-14,17-20H2,1-3H3,(H,38,45)(H,39,46)
InChIKeyBORFGSOJWIFRQB-UHFFFAOYSA-N
MW658.80 g/mol
LogP1.88
Rot. Bonds9

About N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 170141886) has the molecular formula C35H46N8O5 and a molecular weight of 658.80 g/mol. Its IUPAC name is N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID170141886
Molecular FormulaC35H46N8O5
Molecular Weight658.80 g/mol
Exact Mass658.36
IUPAC NameN-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESCC(=O)N1C(ONC(=O)c2cnc3c(c2)CN(CC24CC2CCN4C(C)C)CC3)CC2CC21CN1CCc2ncc(C(=O)NO)cc2C1
InChIInChI=1S/C35H46N8O5/c1-21(2)42-9-4-27-13-34(27,42)19-40-7-5-30-26(17-40)11-24(16-37-30)33(46)39-48-31-12-28-14-35(28,43(31)22(3)44)20-41-8-6-29-25(18-41)10-23(15-36-29)32(45)38-47/h10-11,15-16,21,27-28,31,47H,4-9,12-14,17-20H2,1-3H3,(H,38,45)(H,39,46)
InChIKeyBORFGSOJWIFRQB-UHFFFAOYSA-N
XLogP1.88
TPSA143.47 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms48
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500658.80
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide with MolForge

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Related Compounds

6-[(2-butan-2-yl-2-azabicyclo[2.1.1]hexan-4-yl)methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 170141819
N-hydroxy-6-(3-methylbutanoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 88578323
6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 176769100
2-[(2-cyclopropyl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868484
6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125717
6-[(2R)-2-ethyl-3-methylbutanoyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 160731359
N-hydroxy-7-(3-methoxypropyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125152
N-hydroxy-6-(morpholin-2-ylmethyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125361
7-(cyclobutylmethyl)-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125281
N-hydroxy-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide;(2R,6S)-2-methyl-6-propylpiperidine
CID 169125350
(7S)-7-ethyl-N-hydroxy-6-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125506
7-[(1S)-1-(1-adamantyl)propyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 170133759

Frequently Asked Questions

What is the IUPAC name of N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (CID 170141886) is N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is CC(=O)N1C(ONC(=O)c2cnc3c(c2)CN(CC24CC2CCN4C(C)C)CC3)CC2CC21CN1CCc2ncc(C(=O)NO)cc2C1.
What is the InChIKey of N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is BORFGSOJWIFRQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H46N8O5/c1-21(2)42-9-4-27-13-34(27,42)19-40-7-5-30-26(17-40)11-24(16-37-30)33(46)39-48-31-12-28-14-35(28,43(31)22(3)44)20-41-8-6-29-25(18-41)10-23(15-36-29)32(45)38-47/h10-11,15-16,21,27-28,31,47H,4-9,12-14,17-20H2,1-3H3,(H,38,45)(H,39,46).
What are the key properties of N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 658.80 g/mol, XLogP of 1.88, 9 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-acetyl-1-[[3-(hydroxycarbamoyl)-7,8-dihydro-5H-1,6-naphthyridin-6-yl]methyl]-2-azabicyclo[3.1.0]hexan-3-yl]oxy]-6-[(2-propan-2-yl-2-azabicyclo[3.1.0]hexan-1-yl)methyl]-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 170141886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).