N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide

C17H19N3O — CID 22243648

IUPACN-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide
SMILESCc1ccc2cnc(C(=O)NC3CC4CNC3C4)cc2c1
InChIInChI=1S/C17H19N3O/c1-10-2-3-12-9-19-16(7-13(12)4-10)17(21)20-15-6-11-5-14(15)18-8-11/h2-4,7,9,11,14-15,18H,5-6,8H2,1H3,(H,20,21)
InChIKeyYJQGCNRTVXTYCA-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.02
Rot. Bonds2

About N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide

N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide (PubChem CID 22243648) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide
PubChem CID22243648
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide
SMILESCc1ccc2cnc(C(=O)NC3CC4CNC3C4)cc2c1
InChIInChI=1S/C17H19N3O/c1-10-2-3-12-9-19-16(7-13(12)4-10)17(21)20-15-6-11-5-14(15)18-8-11/h2-4,7,9,11,14-15,18H,5-6,8H2,1H3,(H,20,21)
InChIKeyYJQGCNRTVXTYCA-UHFFFAOYSA-N
XLogP2.02
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[2,3-c]pyridine-5-carboxamide
CID 22389421
2-acetyl-N-(2-azabicyclo[2.2.1]heptan-6-yl)furo[3,2-c]pyridine-6-carboxamide
CID 22389462
N-[(1R,4S,6S)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-c]pyrimidine-7-carboxamide
CID 99719189
N-[(1R,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-c]pyrimidine-7-carboxamide
CID 99719181
N-[(1R,4R,6S)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-a]pyrazine-6-carboxamide
CID 99719176
N-[(1R,4R,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,2-a]pyrazine-6-carboxamide
CID 99719190
N-[(1S,4S,6R)-2-azabicyclo[2.2.1]heptan-6-yl]imidazo[1,5-a]pyrazine-6-carboxamide
CID 98077691
N-(2-azabicyclo[2.2.1]heptan-6-yl)-7-chloropyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 22566092
N-(2-azabicyclo[2.2.1]heptan-6-yl)-3-pyrrolidin-1-ylfuro[2,3-c]pyridine-5-carboxamide
CID 22389428
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-cyanopyrrolo[1,2-c]pyrimidine-3-carboxamide
CID 22565982
methyl 6-methylisoquinoline-3-carboxylate
CID 22243644
N-(2-azabicyclo[2.2.1]heptan-6-yl)-5-chloro-1,3-oxazole-2-carboxamide
CID 22350376

Frequently Asked Questions

What is the IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide?
The IUPAC name of N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide (CID 22243648) is N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide?
The canonical SMILES for N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide is Cc1ccc2cnc(C(=O)NC3CC4CNC3C4)cc2c1.
What is the InChIKey of N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide?
The InChIKey is YJQGCNRTVXTYCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O/c1-10-2-3-12-9-19-16(7-13(12)4-10)17(21)20-15-6-11-5-14(15)18-8-11/h2-4,7,9,11,14-15,18H,5-6,8H2,1H3,(H,20,21).
What are the key properties of N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide?
N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-azabicyclo[2.2.1]heptan-6-yl)-6-methylisoquinoline-3-carboxamide is sourced from PubChem (CID 22243648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).