N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide

C16H17N3O3 — CID 88580832

IUPACN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CCC(NC(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H17N3O3/c20-15(19-22)12-4-3-11-9-13(6-5-10(11)8-12)18-16(21)14-2-1-7-17-14/h1-4,7-8,13,17,22H,5-6,9H2,(H,18,21)(H,19,20)
InChIKeyLSXNRTQCMDYURY-UHFFFAOYSA-N
MW299.33 g/mol
LogP1.42
Rot. Bonds3

About N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide

N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide (PubChem CID 88580832) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide
PubChem CID88580832
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC NameN-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CCC(NC(=O)c1ccc[nH]1)C2
InChIInChI=1S/C16H17N3O3/c20-15(19-22)12-4-3-11-9-13(6-5-10(11)8-12)18-16(21)14-2-1-7-17-14/h1-4,7-8,13,17,22H,5-6,9H2,(H,18,21)(H,19,20)
InChIKeyLSXNRTQCMDYURY-UHFFFAOYSA-N
XLogP1.42
TPSA94.22 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 51.42
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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-[7-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1,2,3,4-tetrahydroisoquinoline-3-carboxamide
CID 58055390
(7S)-7-(2,2-dimethylpropanoylamino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 86731183
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 58055582
N-(6-oxopiperidin-3-yl)-1H-pyrrole-2-carboxamide
CID 62491246
3-amino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-pyrazole-5-carboxamide
CID 64525278
N-(4-hydroxycyclohexyl)-1H-pyrrole-2-carboxamide
CID 43393266
N-[(2R)-6-bromo-1,2,3,4-tetrahydronaphthalen-2-yl]benzamide
CID 10065196
N-hydroxy-6-piperidin-4-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 58055632
3,5-diamino-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 62305417
N-(azetidin-3-yl)-1H-pyrrole-2-carboxamide
CID 66187212
3,4-dihydroxy-N-(1,2,3,4-tetrahydronaphthalen-2-yl)benzamide
CID 103956267
7-(4-bromoanilino)-N-hydroxy-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 56932604

Frequently Asked Questions

What is the IUPAC name of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide (CID 88580832) is N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide is O=C(NO)c1ccc2c(c1)CCC(NC(=O)c1ccc[nH]1)C2.
What is the InChIKey of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is LSXNRTQCMDYURY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c20-15(19-22)12-4-3-11-9-13(6-5-10(11)8-12)18-16(21)14-2-1-7-17-14/h1-4,7-8,13,17,22H,5-6,9H2,(H,18,21)(H,19,20).
What are the key properties of N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide?
N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 299.33 g/mol, XLogP of 1.42, 3 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(hydroxycarbamoyl)-1,2,3,4-tetrahydronaphthalen-2-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 88580832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).