N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

C17H24N4O2 — CID 170133954

IUPACN-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCNCCCC1=C[C@@H](N2CCc3cc(C(=O)NO)cnc3C2)C1
InChIInChI=1S/C17H24N4O2/c1-18-5-2-3-12-7-15(8-12)21-6-4-13-9-14(17(22)20-23)10-19-16(13)11-21/h7,9-10,15,18,23H,2-6,8,11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyKJFILJZDTLIELX-OAHLLOKOSA-N
MW316.41 g/mol
LogP1.26
Rot. Bonds6

About N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (PubChem CID 170133954) has the molecular formula C17H24N4O2 and a molecular weight of 316.41 g/mol. Its IUPAC name is N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
PubChem CID170133954
Molecular FormulaC17H24N4O2
Molecular Weight316.41 g/mol
Exact Mass316.19
IUPAC NameN-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESCNCCCC1=C[C@@H](N2CCc3cc(C(=O)NO)cnc3C2)C1
InChIInChI=1S/C17H24N4O2/c1-18-5-2-3-12-7-15(8-12)21-6-4-13-9-14(17(22)20-23)10-19-16(13)11-21/h7,9-10,15,18,23H,2-6,8,11H2,1H3,(H,20,22)/t15-/m1/s1
InChIKeyKJFILJZDTLIELX-OAHLLOKOSA-N
XLogP1.26
TPSA77.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-hydroxy-7-[2-(methylamino)acetyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 87147895
N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 176769059
N-hydroxy-7-(2-methyl-2-azaspiro[3.3]heptan-7-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125550
7-[2-[3-[cyclopropyl(methyl)amino]propyl]cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125353
N-hydroxy-7-(2-oxaspiro[3.3]heptan-7-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125387
7-[3-(3-aminopropyl)cyclobutyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen
CID 169125895
N-hydroxy-7-[(3R,4R)-5-methyl-5-azaspiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 176769078
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
7-[(3R,4R)-5-acetyl-5-azaspiro[3.5]nonan-3-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125246
N-hydroxy-7-(3-methoxypropyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125152
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
7-(cyclobutylmethyl)-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125281

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (CID 170133954) is N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is CNCCCC1=C[C@@H](N2CCc3cc(C(=O)NO)cnc3C2)C1.
What is the InChIKey of N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The InChIKey is KJFILJZDTLIELX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-18-5-2-3-12-7-15(8-12)21-6-4-13-9-14(17(22)20-23)10-19-16(13)11-21/h7,9-10,15,18,23H,2-6,8,11H2,1H3,(H,20,22)/t15-/m1/s1.
What are the key properties of N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide has a molecular weight of 316.41 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-[(1S)-3-[3-(methylamino)propyl]cyclobut-2-en-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 170133954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).