6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

C20H28N4O2 — CID 176769100

IUPAC6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESO=C(NO)c1cnc2c(c1)CN(C[C@H]1C3CCC(CC3)N1C1CC1)CC2
InChIInChI=1S/C20H28N4O2/c25-20(22-26)14-9-15-11-23(8-7-18(15)21-10-14)12-19-13-1-3-16(4-2-13)24(19)17-5-6-17/h9-10,13,16-17,19,26H,1-8,11-12H2,(H,22,25)/t13?,16?,19-/m0/s1
InChIKeyXNPCDVHMLHCJBG-ZVYVSMAVSA-N
MW356.47 g/mol
LogP1.96
Rot. Bonds4

About 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide

6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide (PubChem CID 176769100) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
PubChem CID176769100
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC Name6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
SMILESO=C(NO)c1cnc2c(c1)CN(C[C@H]1C3CCC(CC3)N1C1CC1)CC2
InChIInChI=1S/C20H28N4O2/c25-20(22-26)14-9-15-11-23(8-7-18(15)21-10-14)12-19-13-1-3-16(4-2-13)24(19)17-5-6-17/h9-10,13,16-17,19,26H,1-8,11-12H2,(H,22,25)/t13?,16?,19-/m0/s1
InChIKeyXNPCDVHMLHCJBG-ZVYVSMAVSA-N
XLogP1.96
TPSA68.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide with MolForge

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Related Compounds

6-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-5-fluoro-N-hydroxypyridine-3-carboxamide
CID 156213880
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CID 156240547
5-oxo-N-(2-piperidin-1-ylethyl)-6H-benzo[h][1,6]naphthyridine-9-carboxamide
CID 58425027
3-[5-[4-(cyclopropylmethyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-isoquinolin-1-one
CID 121596846
N-[4-[5-[4-(1-methylpiperidin-4-yl)piperazine-1-carbonyl]-2-pyridinyl]phenyl]acetamide
CID 172433436
4-[(5R,6R,9S,13S)-7-(pyridine-3-carbonyl)-1,7-diazatricyclo[7.3.1.05,13]tridecan-6-yl]-N-(pyridin-2-ylmethyl)butanamide
CID 110195948
5-benzyl-N-pyridin-3-yl-7,8-dihydro-6H-1,5-naphthyridine-3-carboxamide
CID 134808490
3-phenyl-1-[7-(4-phenylpiperidine-1-carbonyl)-3,4-dihydro-2H-1,5-naphthyridin-1-yl]propan-1-one
CID 134808496
5-[(4-Cyclohexylpiperazin-1-yl)carbonyl]-2,3'-bipyridine
CID 53149742
(4aS*,8aR*)-1-[2-(methylamino)ethyl]-6-(5,6,7,8-tetrahydroquinolin-3-ylcarbonyl)octahydro-1,6-naphthyridin-2(1H)-one
CID 70784128
4-[(1R,3AS,10AR,10BS)-2-Benzoyldecahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]-N-methyl-N-[2-(2-pyridinyl)ethyl]butanamide
CID 110195903
N-[2-(1-Piperidinyl)ethyl]-4-[(1R,3AS,10AR,10BS)-2-(3-pyridinylcarbonyl)decahydro-1H,4H-pyrido[3,2,1-IJ][1,6]naphthyridin-1-YL]butanamide
CID 110195957

Frequently Asked Questions

What is the IUPAC name of 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The IUPAC name of 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) is 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide.
What is the SMILES notation for 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The canonical SMILES for 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is O=C(NO)c1cnc2c(c1)CN(C[C@H]1C3CCC(CC3)N1C1CC1)CC2.
What is the InChIKey of 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
The InChIKey is XNPCDVHMLHCJBG-ZVYVSMAVSA-N. The full InChI is InChI=1S/C20H28N4O2/c25-20(22-26)14-9-15-11-23(8-7-18(15)21-10-14)12-19-13-1-3-16(4-2-13)24(19)17-5-6-17/h9-10,13,16-17,19,26H,1-8,11-12H2,(H,22,25)/t13?,16?,19-/m0/s1.
What are the key properties of 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide?
6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3R)-2-cyclopropyl-2-azabicyclo[2.2.2]octan-3-yl]methyl]-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide is sourced from PubChem (CID 176769100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).