2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide

C16H16ClN3O2 — CID 155883748

IUPAC2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)N1C=CC2N=C(Cl)C=CC21
InChIInChI=1S/C16H16ClN3O2/c17-15-7-6-13-12(18-15)8-9-20(13)14(16(21)19-22)10-11-4-2-1-3-5-11/h1-9,12-14,22H,10H2,(H,19,21)
InChIKeyZYPMUKFMLASFOE-UHFFFAOYSA-N
MW317.78 g/mol
LogP1.88
Rot. Bonds4

About 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide

2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide (PubChem CID 155883748) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide.

Molecular Properties

Compound Name2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide
PubChem CID155883748
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide
SMILESO=C(NO)C(Cc1ccccc1)N1C=CC2N=C(Cl)C=CC21
InChIInChI=1S/C16H16ClN3O2/c17-15-7-6-13-12(18-15)8-9-20(13)14(16(21)19-22)10-11-4-2-1-3-5-11/h1-9,12-14,22H,10H2,(H,19,21)
InChIKeyZYPMUKFMLASFOE-UHFFFAOYSA-N
XLogP1.88
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 51.88
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

N-hydroxy-2-(5-methylpyrazolo[4,5-b]pyridin-1-yl)-3-phenylpropanamide
CID 126601422
N-hydroxy-3-phenyl-2-(5-phenylindazol-1-yl)propanamide
CID 126601527
2-[7-[[cyclopropyl(methyl)amino]methyl]indazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601465
2-(5-fluoroindazol-2-yl)-N-hydroxy-3-phenylpropanamide
CID 155883738
N-hydroxy-3-phenyl-2-(5-pyrimidin-5-ylpyrazolo[4,5-b]pyridin-1-yl)propanamide
CID 126601596
2-[7-(2-cyclopropylethynyl)indazol-2-yl]-N-hydroxy-3-phenylpropanamide
CID 126601366
N,2-dihydroxy-4-phenylbutanamide
CID 11458241
N-(5-chloro-2-pyridinyl)-3-phenyl-2-pyrrol-1-ylpropanamide
CID 121239964
(2R)-N-(4-chlorophenyl)-2-[(1R,2S,6S,7R)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3-phenylpropanamide
CID 98208692
2-(3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl)-3-phenylpropanoyl chloride
CID 50877014
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
N-hydroxy-3-phenyl-2-[(4-phenylphenyl)methylamino]propanamide
CID 20748988

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide?
The IUPAC name of 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide (CID 155883748) is 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide.
What is the SMILES notation for 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide?
The canonical SMILES for 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide is O=C(NO)C(Cc1ccccc1)N1C=CC2N=C(Cl)C=CC21.
What is the InChIKey of 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide?
The InChIKey is ZYPMUKFMLASFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-15-7-6-13-12(18-15)8-9-20(13)14(16(21)19-22)10-11-4-2-1-3-5-11/h1-9,12-14,22H,10H2,(H,19,21).
What are the key properties of 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide?
2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide has a molecular weight of 317.78 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-3a,7a-dihydropyrrolo[3,2-b]pyridin-1-yl)-N-hydroxy-3-phenylpropanamide is sourced from PubChem (CID 155883748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).