4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one

C14H13N3O3 — CID 114455746

IUPAC4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
SMILESNc1cccc2c1N(C(=O)c1cc(O)[nH]c(=O)c1)CC2
InChIInChI=1S/C14H13N3O3/c15-10-3-1-2-8-4-5-17(13(8)10)14(20)9-6-11(18)16-12(19)7-9/h1-3,6-7H,4-5,15H2,(H2,16,18,19)
InChIKeyJMNCOXJNICZEEK-UHFFFAOYSA-N
MW271.28 g/mol
LogP0.87
Rot. Bonds1

About 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one

4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one (PubChem CID 114455746) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
PubChem CID114455746
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one
SMILESNc1cccc2c1N(C(=O)c1cc(O)[nH]c(=O)c1)CC2
InChIInChI=1S/C14H13N3O3/c15-10-3-1-2-8-4-5-17(13(8)10)14(20)9-6-11(18)16-12(19)7-9/h1-3,6-7H,4-5,15H2,(H2,16,18,19)
InChIKeyJMNCOXJNICZEEK-UHFFFAOYSA-N
XLogP0.87
TPSA99.42 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 50.87
H-Bond Donors ≤ 53
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)-(3-hydroxyphenyl)methanone
CID 114455702
(7-amino-2,3-dihydroindol-1-yl)-[4-(4-fluorophenoxy)phenyl]methanone
CID 155969335
(7-amino-2,3-dihydroindol-1-yl)-(3-chloro-4-hydroxyphenyl)methanone
CID 114455583
(7-amino-2,3-dihydroindol-1-yl)-(2,4,6-trifluorophenyl)methanone
CID 114455780
(7-amino-2,3-dihydroindol-1-yl)-(4-chloro-1H-pyrrol-2-yl)methanone
CID 114455897
(7-amino-2,3-dihydroindol-1-yl)-thiophen-2-ylmethanone
CID 114455754
(7-amino-2,3-dihydroindol-1-yl)-(2-fluorophenyl)methanone
CID 114455598
(7-amino-2,3-dihydroindol-1-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114455689
(7-amino-2,3-dihydroindol-1-yl)-pyrrolidin-1-ylmethanone
CID 114455948
(7-amino-2,3-dihydroindol-1-yl)-(3-hydroxy-4-pyridinyl)methanone
CID 114455888
4-(2,3-dihydroindole-1-carbonyl)-6-methyl-1H-pyridin-2-one
CID 110698689
(7-amino-2,3-dihydroindol-1-yl)-(5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl)methanone
CID 114455584

Frequently Asked Questions

What is the IUPAC name of 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one?
The IUPAC name of 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one (CID 114455746) is 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one is Nc1cccc2c1N(C(=O)c1cc(O)[nH]c(=O)c1)CC2.
What is the InChIKey of 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one?
The InChIKey is JMNCOXJNICZEEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c15-10-3-1-2-8-4-5-17(13(8)10)14(20)9-6-11(18)16-12(19)7-9/h1-3,6-7H,4-5,15H2,(H2,16,18,19).
What are the key properties of 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one?
4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one has a molecular weight of 271.28 g/mol, XLogP of 0.87, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7-amino-2,3-dihydroindole-1-carbonyl)-6-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 114455746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).