1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide

C15H19N3O — CID 55043674

IUPAC1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H19N3O/c1-4-15(2,3)18-14(19)12-9-10-7-5-6-8-11(10)13(16)17-12/h5-9H,4H2,1-3H3,(H2,16,17)(H,18,19)
InChIKeyXRUSXKZFGKUKLQ-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.74
Rot. Bonds3

About 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide

1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide (PubChem CID 55043674) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide
PubChem CID55043674
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide
SMILESCCC(C)(C)NC(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H19N3O/c1-4-15(2,3)18-14(19)12-9-10-7-5-6-8-11(10)13(16)17-12/h5-9H,4H2,1-3H3,(H2,16,17)(H,18,19)
InChIKeyXRUSXKZFGKUKLQ-UHFFFAOYSA-N
XLogP2.74
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 62156009
1-amino-N-ethyl-N-(2-hydroxy-2-methylpropyl)isoquinoline-3-carboxamide
CID 79380171
1-chloro-N-(4-hydroxy-2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 115968973
1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
CID 62160545
1-chloro-N-(1-hydroxy-2-methylbutan-2-yl)isoquinoline-3-carboxamide
CID 64551993
1-chloro-N-(1-methoxy-2-methylpropan-2-yl)isoquinoline-3-carboxamide
CID 115617043
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
1-chloro-N-[1-hydroxy-2-(hydroxymethyl)butan-2-yl]isoquinoline-3-carboxamide
CID 104630197
N-(2-methylbutan-2-yl)pyridine-2-carboxamide
CID 39902982
N-(2-methylbutan-2-yl)-1-benzofuran-2-carboxamide
CID 40623926
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
CID 55041878
1-amino-N-thiophen-3-ylisoquinoline-3-carboxamide
CID 66354413

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide (CID 55043674) is 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide is CCC(C)(C)NC(=O)c1cc2ccccc2c(N)n1.
What is the InChIKey of 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide?
The InChIKey is XRUSXKZFGKUKLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-4-15(2,3)18-14(19)12-9-10-7-5-6-8-11(10)13(16)17-12/h5-9H,4H2,1-3H3,(H2,16,17)(H,18,19).
What are the key properties of 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide?
1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.74, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(2-methylbutan-2-yl)isoquinoline-3-carboxamide is sourced from PubChem (CID 55043674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).