N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide

C23H22N6O3 — CID 155008888

IUPACN-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide
SMILESO=C(C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccncc2)nn1)NO
InChIInChI=1S/C23H22N6O3/c30-22(27-32)13-21(12-16-5-6-17-3-1-2-4-19(17)11-16)29-15-20(26-28-29)14-25-23(31)18-7-9-24-10-8-18/h1-11,15,21,32H,12-14H2,(H,25,31)(H,27,30)/t21-/m1/s1
InChIKeyYJLTVRDBTKPBFV-OAQYLSRUSA-N
MW430.47 g/mol
LogP2.44
Rot. Bonds8

About N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide

N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide (PubChem CID 155008888) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide
PubChem CID155008888
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC NameN-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide
SMILESO=C(C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccncc2)nn1)NO
InChIInChI=1S/C23H22N6O3/c30-22(27-32)13-21(12-16-5-6-17-3-1-2-4-19(17)11-16)29-15-20(26-28-29)14-25-23(31)18-7-9-24-10-8-18/h1-11,15,21,32H,12-14H2,(H,25,31)(H,27,30)/t21-/m1/s1
InChIKeyYJLTVRDBTKPBFV-OAQYLSRUSA-N
XLogP2.44
TPSA122.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

N-hydroxy-4-naphthalen-2-yl-3-[4-(phenylmethoxymethyl)triazol-1-yl]butanamide
CID 154997077
(3R)-N-hydroxy-4-naphthalen-2-yl-3-[4-[[(5-phenylthiophen-2-yl)sulfonylamino]methyl]triazol-1-yl]butanamide
CID 164530799
4-fluoro-N-[[1-[4-(hydroxyamino)-4-oxo-1-(5,6,7,8-tetrahydronaphthalen-2-yl)butan-2-yl]triazol-4-yl]methyl]benzamide
CID 154997318
N-[[1-[(2R)-1-(4-bromophenyl)-4-(hydroxyamino)-4-oxobutan-2-yl]triazol-4-yl]methyl]-4-fluorobenzamide
CID 154996796
3,4-difluoro-N-[[1-[(2R)-4-(hydroxyamino)-4-oxo-1-[4-(trifluoromethyl)phenyl]butan-2-yl]triazol-4-yl]methyl]benzamide
CID 155008857
4-fluoro-N-[[1-[(2R)-4-(hydroxyamino)-4-oxo-1-(4-pyrimidin-5-ylphenyl)butan-2-yl]triazol-4-yl]methyl]benzamide
CID 154647394
3,4-difluoro-N-[[1-[(2R)-4-(hydroxyamino)-4-oxo-1-(6-oxo-7,8-dihydro-5H-naphthalen-2-yl)butan-2-yl]triazol-4-yl]methyl]benzamide
CID 163416737
N-[[1-[(2R)-1-(1,3-benzothiazol-6-yl)-4-(hydroxyamino)-4-oxobutan-2-yl]triazol-4-yl]methyl]-3,4-difluorobenzamide
CID 154997041
N-[[1-[1-[4-(2-tert-butyltetrazol-5-yl)phenyl]-4-(hydroxyamino)-4-oxobutan-2-yl]triazol-4-yl]methyl]-3,4-difluorobenzamide
CID 154997276
3-[5-(aminomethyl)triazol-1-yl]-N-hydroxy-4-naphthalen-2-ylbutanamide
CID 154997008
N-(naphthalen-2-ylmethyl)benzamide
CID 47161333
(2S)-2-[4-[[[3-[[1-[(1S)-1-carboxy-2-(4-hydroxyphenyl)ethyl]triazol-4-yl]methylcarbamoyl]benzoyl]amino]methyl]triazol-1-yl]-3-(4-hydroxyphenyl)propanoic acid
CID 71733510

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide?
The IUPAC name of N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide (CID 155008888) is N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide?
The canonical SMILES for N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide is O=C(C[C@@H](Cc1ccc2ccccc2c1)n1cc(CNC(=O)c2ccncc2)nn1)NO.
What is the InChIKey of N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide?
The InChIKey is YJLTVRDBTKPBFV-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-22(27-32)13-21(12-16-5-6-17-3-1-2-4-19(17)11-16)29-15-20(26-28-29)14-25-23(31)18-7-9-24-10-8-18/h1-11,15,21,32H,12-14H2,(H,25,31)(H,27,30)/t21-/m1/s1.
What are the key properties of N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide?
N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 2.44, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2R)-4-(hydroxyamino)-1-naphthalen-2-yl-4-oxobutan-2-yl]triazol-4-yl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 155008888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).