5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one

C14H15N3O — CID 162427496

IUPAC5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one
SMILESO=c1ccc(Nc2ccc3c(c2)CNCC3)c[nH]1
InChIInChI=1S/C14H15N3O/c18-14-4-3-13(9-16-14)17-12-2-1-10-5-6-15-8-11(10)7-12/h1-4,7,9,15,17H,5-6,8H2,(H,16,18)
InChIKeyYOMUBOVLTMPICI-UHFFFAOYSA-N
MW241.29 g/mol
LogP1.76
Rot. Bonds2

About 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one

5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one (PubChem CID 162427496) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one
PubChem CID162427496
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one
SMILESO=c1ccc(Nc2ccc3c(c2)CNCC3)c[nH]1
InChIInChI=1S/C14H15N3O/c18-14-4-3-13(9-16-14)17-12-2-1-10-5-6-15-8-11(10)7-12/h1-4,7,9,15,17H,5-6,8H2,(H,16,18)
InChIKeyYOMUBOVLTMPICI-UHFFFAOYSA-N
XLogP1.76
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

5,6,7,8-tetrahydro-2H-2,6-naphthyridin-3-one
CID 105429463
1-(4-fluorophenyl)-3-(1,2,3,4-tetrahydroisoquinolin-7-yl)urea
CID 63901955
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propane-2-sulfonamide
CID 63902148
4-(1,2,3,4-tetrahydroisoquinolin-7-yl)-1H-pyridin-2-one
CID 126622798
2-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)propanamide;hydrochloride
CID 119581054
(2S)-5-oxo-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)pyrrolidine-2-carboxamide
CID 103806993
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)cyclopentanesulfonamide
CID 105361396
N-(6-oxo-1H-pyridin-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 110724962
6-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)quinazolin-2-amine
CID 70864138
5-methyl-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)thiophene-2-carboxamide
CID 63900297
2-hydroxy-N-(1,2,3,4-tetrahydroisoquinolin-7-yl)benzamide
CID 63901524
N-(1,2,3,4-tetrahydroisoquinolin-7-yl)piperidine-1-sulfonamide
CID 63900725

Frequently Asked Questions

What is the IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one?
The IUPAC name of 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one (CID 162427496) is 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one?
The canonical SMILES for 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one is O=c1ccc(Nc2ccc3c(c2)CNCC3)c[nH]1.
What is the InChIKey of 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one?
The InChIKey is YOMUBOVLTMPICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14-4-3-13(9-16-14)17-12-2-1-10-5-6-15-8-11(10)7-12/h1-4,7,9,15,17H,5-6,8H2,(H,16,18).
What are the key properties of 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one?
5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one has a molecular weight of 241.29 g/mol, XLogP of 1.76, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4-tetrahydroisoquinolin-7-ylamino)-1H-pyridin-2-one is sourced from PubChem (CID 162427496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).