7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen

C16H30N4O2 — CID 169125895

IUPAC7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen
SMILESNCCCC1CC(N2CCc3cc(C(=O)NO)cnc3C2)C1.[H][H].[H][H].[H][H]
InChIInChI=1S/C16H24N4O2.3H2/c17-4-1-2-11-6-14(7-11)20-5-3-12-8-13(16(21)19-22)9-18-15(12)10-20;;;/h8-9,11,14,22H,1-7,10,17H2,(H,19,21);3*1H
InChIKeySXHAGWURNSHMCC-UHFFFAOYSA-N
MW310.44 g/mol
LogP1.81
Rot. Bonds5

About 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen

7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen (PubChem CID 169125895) has the molecular formula C16H30N4O2 and a molecular weight of 310.44 g/mol. Its IUPAC name is 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen
PubChem CID169125895
Molecular FormulaC16H30N4O2
Molecular Weight310.44 g/mol
Exact Mass310.24
IUPAC Name7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen
SMILESNCCCC1CC(N2CCc3cc(C(=O)NO)cnc3C2)C1.[H][H].[H][H].[H][H]
InChIInChI=1S/C16H24N4O2.3H2/c17-4-1-2-11-6-14(7-11)20-5-3-12-8-13(16(21)19-22)9-18-15(12)10-20;;;/h8-9,11,14,22H,1-7,10,17H2,(H,19,21);3*1H
InChIKeySXHAGWURNSHMCC-UHFFFAOYSA-N
XLogP1.81
TPSA91.48 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.44
LogP ≤ 51.81
H-Bond Donors ≤ 53
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'}

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Related Compounds

8-fluoro-N-hydroxy-2-[3-[3-(methylamino)propyl]cyclobutyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide;molecular hydrogen
CID 164868845
7-[(4aS,6R)-1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125334
6-cyclobutyl-N-hydroxy-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 169125717
N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 170133954
7-(cyclobutylmethyl)-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125281
N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 176769059
7-[2-[3-[cyclopropyl(methyl)amino]propyl]cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125353
N-hydroxy-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125813
N-hydroxy-7-(2-oxaspiro[3.3]heptan-7-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125387
7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125654
N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 87147895
N-hydroxy-7-[(3R,5S)-7-methyl-7-azaspiro[4.5]decan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125172

Frequently Asked Questions

What is the IUPAC name of 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen?
The IUPAC name of 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen (CID 169125895) is 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen.
What is the SMILES notation for 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen?
The canonical SMILES for 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen is NCCCC1CC(N2CCc3cc(C(=O)NO)cnc3C2)C1.[H][H].[H][H].[H][H].
What is the InChIKey of 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen?
The InChIKey is SXHAGWURNSHMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2.3H2/c17-4-1-2-11-6-14(7-11)20-5-3-12-8-13(16(21)19-22)9-18-15(12)10-20;;;/h8-9,11,14,22H,1-7,10,17H2,(H,19,21);3*1H.
What are the key properties of 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen?
7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen has a molecular weight of 310.44 g/mol, XLogP of 1.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen is sourced from PubChem (CID 169125895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).