N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide

C17H19N3O3 — CID 58147302

IUPACN-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide
SMILESCn1cccc1C(=O)N1CCCc2cc(C(=O)NO)ccc2C1
InChIInChI=1S/C17H19N3O3/c1-19-8-3-5-15(19)17(22)20-9-2-4-12-10-13(16(21)18-23)6-7-14(12)11-20/h3,5-8,10,23H,2,4,9,11H2,1H3,(H,18,21)
InChIKeyLJJCJABXEFNCNY-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.73
Rot. Bonds2

About N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide

N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide (PubChem CID 58147302) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide
PubChem CID58147302
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide
SMILESCn1cccc1C(=O)N1CCCc2cc(C(=O)NO)ccc2C1
InChIInChI=1S/C17H19N3O3/c1-19-8-3-5-15(19)17(22)20-9-2-4-12-10-13(16(21)18-23)6-7-14(12)11-20/h3,5-8,10,23H,2,4,9,11H2,1H3,(H,18,21)
InChIKeyLJJCJABXEFNCNY-UHFFFAOYSA-N
XLogP1.73
TPSA74.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.73
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

(2E)-N-hydroxy-3-(1-methyl-4-(phenylacetyl)-1H-pyrrol-2-yl)prop-2-enamide
CID 10379137
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CID 119081691
N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
CID 119081692
3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
10-fluoro-N-hydroxy-5,6-dihydropyrrolo[2,1-a]isoquinoline-8-carboxamide
CID 155598423
1-methyl-N-(2-phenylethyl)pyrrole-2-carboxamide
CID 2542487
N-methyl-N-(4-phenylbutyl)-1H-pyrrole-2-carboxamide
CID 16110291
Pyridine-2-carboxylic acid [2-(2-methyl-benzoylamino)-ethyl]-amide
CID 2988504
4-Methyl-N-[2-pyridin-3-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5764752
2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]-N-(2-phenylethyl)acetamide
CID 6620311
N-benzyl-2-[2-(2-methylbenzoyl)-1H-pyrrol-1-yl]acetamide
CID 16011775
{1-[2-(3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]-1H-pyrrol-2-yl}(phenyl)methanone
CID 16193606

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide?
The IUPAC name of N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide (CID 58147302) is N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide?
The canonical SMILES for N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide is Cn1cccc1C(=O)N1CCCc2cc(C(=O)NO)ccc2C1.
What is the InChIKey of N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide?
The InChIKey is LJJCJABXEFNCNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c1-19-8-3-5-15(19)17(22)20-9-2-4-12-10-13(16(21)18-23)6-7-14(12)11-20/h3,5-8,10,23H,2,4,9,11H2,1H3,(H,18,21).
What are the key properties of N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide?
N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(1-methylpyrrole-2-carbonyl)-1,3,4,5-tetrahydro-2-benzazepine-7-carboxamide is sourced from PubChem (CID 58147302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).