N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide

C17H19N3O — CID 107487027

IUPACN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1nccc2ccccc12
InChIInChI=1S/C17H19N3O/c21-17(20-11-7-13-5-9-18-10-6-13)16-15-4-2-1-3-14(15)8-12-19-16/h1-5,8,12,18H,6-7,9-11H2,(H,20,21)
InChIKeyQCQOGAFCOILEJM-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.27
Rot. Bonds4

About N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide

N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide (PubChem CID 107487027) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide
PubChem CID107487027
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide
SMILESO=C(NCCC1=CCNCC1)c1nccc2ccccc12
InChIInChI=1S/C17H19N3O/c21-17(20-11-7-13-5-9-18-10-6-13)16-15-4-2-1-3-14(15)8-12-19-16/h1-5,8,12,18H,6-7,9-11H2,(H,20,21)
InChIKeyQCQOGAFCOILEJM-UHFFFAOYSA-N
XLogP2.27
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]isoquinoline-1-carboxamide
CID 52786806
N-(2-pyridin-2-ylethyl)isoquinoline-1-carboxamide
CID 171674202
2,6-dihydroxy-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107690529
N-(3-piperazin-1-ylpropyl)isoquinoline-1-carboxamide;dihydrochloride
CID 119392304
5-chloro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]pyridine-2-carboxamide
CID 107487182
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
N-(6-bromohexyl)isoquinoline-1-carboxamide
CID 107847868
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]acetamide
CID 107486741
N-(1,2,3,6-tetrahydropyridin-4-ylmethyl)naphthalene-1-carboxamide
CID 114693786
3-phenyl-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]prop-2-ynamide
CID 107487504
N-(4-cyanobutyl)isoquinoline-1-carboxamide
CID 63296934
2-chloro-6-fluoro-N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]benzamide
CID 107486730

Frequently Asked Questions

What is the IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide?
The IUPAC name of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide (CID 107487027) is N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide.
What is the SMILES notation for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide?
The canonical SMILES for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide is O=C(NCCC1=CCNCC1)c1nccc2ccccc12.
What is the InChIKey of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide?
The InChIKey is QCQOGAFCOILEJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(20-11-7-13-5-9-18-10-6-13)16-15-4-2-1-3-14(15)8-12-19-16/h1-5,8,12,18H,6-7,9-11H2,(H,20,21).
What are the key properties of N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide?
N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]isoquinoline-1-carboxamide is sourced from PubChem (CID 107487027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).