(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone

C14H13N3O2 — CID 114455888

IUPAC(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESNc1cccc2c1N(C(=O)c1ccncc1O)CC2
InChIInChI=1S/C14H13N3O2/c15-11-3-1-2-9-5-7-17(13(9)11)14(19)10-4-6-16-8-12(10)18/h1-4,6,8,18H,5,7,15H2
InChIKeyHNFFDDHWEFRKQM-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.57
Rot. Bonds1

About (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone

(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone (PubChem CID 114455888) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
PubChem CID114455888
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
SMILESNc1cccc2c1N(C(=O)c1ccncc1O)CC2
InChIInChI=1S/C14H13N3O2/c15-11-3-1-2-9-5-7-17(13(9)11)14(19)10-4-6-16-8-12(10)18/h1-4,6,8,18H,5,7,15H2
InChIKeyHNFFDDHWEFRKQM-UHFFFAOYSA-N
XLogP1.57
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(7-amino-2,3-dihydroindol-1-yl)-(1,3-dimethylpyrazol-4-yl)methanone
CID 102802051
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-(2-bromo-3-fluorophenyl)methanone
CID 114455629
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 114455583
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
CID 114455746
(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-pyrazin-2-ylmethanone
CID 63215592
(7-amino-2,3-dihydroindol-1-yl)-(3-bromothiophen-2-yl)methanone
CID 114455880

Frequently Asked Questions

What is the IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The IUPAC name of (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone (CID 114455888) is (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone.
What is the SMILES notation for (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The canonical SMILES for (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone is Nc1cccc2c1N(C(=O)c1ccncc1O)CC2.
What is the InChIKey of (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
The InChIKey is HNFFDDHWEFRKQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-11-3-1-2-9-5-7-17(13(9)11)14(19)10-4-6-16-8-12(10)18/h1-4,6,8,18H,5,7,15H2.
What are the key properties of (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone?
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone has a molecular weight of 255.28 g/mol, XLogP of 1.57, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone is sourced from PubChem (CID 114455888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).