N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide

C17H19N3O3 — CID 166268918

IUPACN-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccnc(OCCO)c1)c1cncc2c1CCCC2
InChIInChI=1S/C17H19N3O3/c21-7-8-23-16-9-13(5-6-19-16)20-17(22)15-11-18-10-12-3-1-2-4-14(12)15/h5-6,9-11,21H,1-4,7-8H2,(H,19,20,22)
InChIKeyGNCWCIXYNDINHJ-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.98
Rot. Bonds5

About N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide

N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide (PubChem CID 166268918) has the molecular formula C17H19N3O3 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
PubChem CID166268918
Molecular FormulaC17H19N3O3
Molecular Weight313.36 g/mol
Exact Mass313.14
IUPAC NameN-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
SMILESO=C(Nc1ccnc(OCCO)c1)c1cncc2c1CCCC2
InChIInChI=1S/C17H19N3O3/c21-7-8-23-16-9-13(5-6-19-16)20-17(22)15-11-18-10-12-3-1-2-4-14(12)15/h5-6,9-11,21H,1-4,7-8H2,(H,19,20,22)
InChIKeyGNCWCIXYNDINHJ-UHFFFAOYSA-N
XLogP1.98
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-(dimethylamino)ethoxy]-4-pyridinyl]-4,5,6,7-tetrahydro-2-benzothiophene-1-carboxamide
CID 166384186
4-chloro-N-(2-methoxy-4-pyridinyl)pyridine-3-carboxamide
CID 112739518
2-[[4-(4-amino-2,3-dihydro-1H-inden-5-yl)-2-pyridinyl]oxy]ethanol
CID 153357282
N-(1-methyl-3,4-dihydro-2H-quinolin-6-yl)-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112523512
N-[3-[1-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]phenyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide
CID 167936360
N-(2-sulfamoyl-4-pyridinyl)-5,6,7,8-tetrahydroquinoline-3-carboxamide
CID 175733101
N-[4-(2-hydroxyethoxy)-3-methylphenyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 75502190
2-(6-azaspiro[2.5]octan-6-yl)-4-(2-hydroxyethylsulfonylamino)-N-[2-(3,3,3-trifluoropropoxy)-4-pyridinyl]benzamide
CID 147717986
N-(2,3-dihydro-1H-inden-5-yl)-4-(ethylamino)pyridine-3-carboxamide
CID 81239690
N-[3-(2-hydroxyethoxy)phenyl]-3-oxo-2,4-dihydro-1H-pyrido[2,3-b]pyrazine-7-carboxamide
CID 166376227
N-(3-methoxyphenyl)-5,6,7,8-tetrahydronaphthalene-1-carboxamide
CID 98000866
N-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazine-2-carboxamide
CID 110792487

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The IUPAC name of N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide (CID 166268918) is N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide.
What is the SMILES notation for N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The canonical SMILES for N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide is O=C(Nc1ccnc(OCCO)c1)c1cncc2c1CCCC2.
What is the InChIKey of N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
The InChIKey is GNCWCIXYNDINHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O3/c21-7-8-23-16-9-13(5-6-19-16)20-17(22)15-11-18-10-12-3-1-2-4-14(12)15/h5-6,9-11,21H,1-4,7-8H2,(H,19,20,22).
What are the key properties of N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide?
N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.98, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-hydroxyethoxy)-4-pyridinyl]-5,6,7,8-tetrahydroisoquinoline-4-carboxamide is sourced from PubChem (CID 166268918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).