2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one

C20H17N3O2 — CID 89466726

IUPAC2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one
SMILESCc1ccc(-n2cc(O)c(=O)cc2N)cc1-c1cccc2[nH]ccc12
InChIInChI=1S/C20H17N3O2/c1-12-5-6-13(23-11-19(25)18(24)10-20(23)21)9-16(12)14-3-2-4-17-15(14)7-8-22-17/h2-11,22,25H,21H2,1H3
InChIKeyQRYJQQMPFHGXFN-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.58
Rot. Bonds2

About 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one

2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one (PubChem CID 89466726) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one.

Molecular Properties

Compound Name2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one
PubChem CID89466726
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one
SMILESCc1ccc(-n2cc(O)c(=O)cc2N)cc1-c1cccc2[nH]ccc12
InChIInChI=1S/C20H17N3O2/c1-12-5-6-13(23-11-19(25)18(24)10-20(23)21)9-16(12)14-3-2-4-17-15(14)7-8-22-17/h2-11,22,25H,21H2,1H3
InChIKeyQRYJQQMPFHGXFN-UHFFFAOYSA-N
XLogP3.58
TPSA84.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-hydroxy-1-[3-(1H-indazol-4-yl)-4-methylphenyl]pyridin-4-one
CID 155472724
1H-indol-4-ol
CID 102220556
4-(1H-indol-4-yl)-1-methylpyrazol-5-amine
CID 117303081
5-amino-4-(1H-indol-4-yl)-1,2-dihydropyrazol-3-one
CID 98773093
6-(1H-indol-4-yl)-3-methylpyridazine-4-carboxylic acid
CID 82382127
5-(1H-indol-4-yl)-1H-pyridin-2-one
CID 122200265
1H-indol-4-amine;hydrochloride
CID 22461572
ethyl 5-(1H-indol-4-yl)pyridine-3-carboxylate
CID 10491979
2-(1H-indol-4-yl)-5-methoxybenzamide
CID 67929816
(4-amino-3,5-dimethylpyrazol-1-yl)-(1H-indol-4-yl)methanone
CID 112525294
5-(5-amino-1-methylpyrazol-3-yl)-1H-indol-4-ol
CID 136968549
2-fluoro-3-(4-methyl-1H-indol-7-yl)phenol
CID 166336775

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one?
The IUPAC name of 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one (CID 89466726) is 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one.
What is the SMILES notation for 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one?
The canonical SMILES for 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one is Cc1ccc(-n2cc(O)c(=O)cc2N)cc1-c1cccc2[nH]ccc12.
What is the InChIKey of 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one?
The InChIKey is QRYJQQMPFHGXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-12-5-6-13(23-11-19(25)18(24)10-20(23)21)9-16(12)14-3-2-4-17-15(14)7-8-22-17/h2-11,22,25H,21H2,1H3.
What are the key properties of 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one?
2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one has a molecular weight of 331.38 g/mol, XLogP of 3.58, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydroxy-1-[3-(1H-indol-4-yl)-4-methylphenyl]pyridin-4-one is sourced from PubChem (CID 89466726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).