N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

C17H24N2O — CID 104557993

IUPACN-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cccc2c1CCNC2
InChIInChI=1S/C17H24N2O/c20-17(19-14-7-3-1-2-4-8-14)16-9-5-6-13-12-18-11-10-15(13)16/h5-6,9,14,18H,1-4,7-8,10-12H2,(H,19,20)
InChIKeyJCNUPWWNIKXWQX-UHFFFAOYSA-N
MW272.39 g/mol
LogP2.78
Rot. Bonds2

About N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide

N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (PubChem CID 104557993) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
PubChem CID104557993
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC NameN-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
SMILESO=C(NC1CCCCCC1)c1cccc2c1CCNC2
InChIInChI=1S/C17H24N2O/c20-17(19-14-7-3-1-2-4-8-14)16-9-5-6-13-12-18-11-10-15(13)16/h5-6,9,14,18H,1-4,7-8,10-12H2,(H,19,20)
InChIKeyJCNUPWWNIKXWQX-UHFFFAOYSA-N
XLogP2.78
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(1R,2R)-2-hydroxycyclohexyl]-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 107222001
N-(3,3-dimethylcyclohexyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558842
N-cyclohexyl-5,6,7,8-tetrahydro-2,7-naphthyridine-4-carboxamide
CID 112520196
N-(2-methylcyclopentyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558561
cycloheptyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612626
cyclopentyl(1,2,3,4-tetrahydroisoquinolin-5-yl)methanone
CID 116612426
N-cyclobutyl-2-(1,2,3,4-tetrahydroisoquinolin-5-yl)acetamide
CID 115104851
N-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558804
N-tert-butyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 113426614
N-cycloheptyl-4,5,6,7-tetrahydrothieno[2,3-c]pyridine-3-carboxamide
CID 6473714
N-(2-acetamidoethyl)-1,2,3,4-tetrahydroisoquinoline-5-carboxamide
CID 104558061
2-cyclopropyl-2-(1,2,3,4-tetrahydroisoquinoline-5-carbonylamino)acetic acid
CID 104558521

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The IUPAC name of N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide (CID 104557993) is N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide.
What is the SMILES notation for N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The canonical SMILES for N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is O=C(NC1CCCCCC1)c1cccc2c1CCNC2.
What is the InChIKey of N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
The InChIKey is JCNUPWWNIKXWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c20-17(19-14-7-3-1-2-4-8-14)16-9-5-6-13-12-18-11-10-15(13)16/h5-6,9,14,18H,1-4,7-8,10-12H2,(H,19,20).
What are the key properties of N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide?
N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide has a molecular weight of 272.39 g/mol, XLogP of 2.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-1,2,3,4-tetrahydroisoquinoline-5-carboxamide is sourced from PubChem (CID 104557993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).