N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

C20H29N3O2 — CID 169125578

IUPACN-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESO=C(NO)c1cnc2c(c1)CCN(CC1CCC3(CCCCC3)C1)C2
InChIInChI=1S/C20H29N3O2/c24-19(22-25)17-10-16-5-9-23(14-18(16)21-12-17)13-15-4-8-20(11-15)6-2-1-3-7-20/h10,12,15,25H,1-9,11,13-14H2,(H,22,24)
InChIKeyLXWWTGNIJFATLP-UHFFFAOYSA-N
MW343.47 g/mol
LogP3.31
Rot. Bonds3

About N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide

N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (PubChem CID 169125578) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
PubChem CID169125578
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
SMILESO=C(NO)c1cnc2c(c1)CCN(CC1CCC3(CCCCC3)C1)C2
InChIInChI=1S/C20H29N3O2/c24-19(22-25)17-10-16-5-9-23(14-18(16)21-12-17)13-15-4-8-20(11-15)6-2-1-3-7-20/h10,12,15,25H,1-9,11,13-14H2,(H,22,24)
InChIKeyLXWWTGNIJFATLP-UHFFFAOYSA-N
XLogP3.31
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

7-(cyclobutylmethyl)-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125281
7-[(7-cyclopropyl-7-azaspiro[3.5]nonan-2-yl)methyl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125084
N-hydroxy-7-(oxetan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125813
N-hydroxy-7-[3-(1-methylcyclopentyl)propyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide;molecular hydrogen
CID 169125557
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
N-hydroxy-7-[(3S)-spiro[3.4]octan-3-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 176769059
N-hydroxy-7-(3-methoxypropyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125152
7-[5-(difluoromethyl)-5-azaspiro[3.5]nonan-2-yl]-N-hydroxy-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125654
2-[(2-cyclopropyl-2-azaspiro[3.5]nonan-7-yl)methyl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868212
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
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-(2-oxaspiro[3.3]heptan-7-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide
CID 169125387

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The IUPAC name of N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide (CID 169125578) is N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is O=C(NO)c1cnc2c(c1)CCN(CC1CCC3(CCCCC3)C1)C2.
What is the InChIKey of N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
The InChIKey is LXWWTGNIJFATLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O2/c24-19(22-25)17-10-16-5-9-23(14-18(16)21-12-17)13-15-4-8-20(11-15)6-2-1-3-7-20/h10,12,15,25H,1-9,11,13-14H2,(H,22,24).
What are the key properties of N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide?
N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide has a molecular weight of 343.47 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-7-(spiro[4.5]decan-3-ylmethyl)-6,8-dihydro-5H-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 169125578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).