1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide

C15H17N3O — CID 55041878

IUPAC1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)NCC2CCC2)cc2ccccc12
InChIInChI=1S/C15H17N3O/c16-14-12-7-2-1-6-11(12)8-13(18-14)15(19)17-9-10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H2,16,18)(H,17,19)
InChIKeyGQIRJBVBFDLWKH-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.35
Rot. Bonds3

About 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide

1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide (PubChem CID 55041878) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
PubChem CID55041878
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide
SMILESNc1nc(C(=O)NCC2CCC2)cc2ccccc12
InChIInChI=1S/C15H17N3O/c16-14-12-7-2-1-6-11(12)8-13(18-14)15(19)17-9-10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H2,16,18)(H,17,19)
InChIKeyGQIRJBVBFDLWKH-UHFFFAOYSA-N
XLogP2.35
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-N-[(1-methylpyrrolidin-3-yl)methyl]isoquinoline-3-carboxamide
CID 62160626
N-(cyclopropylmethyl)-1-(ethylamino)isoquinoline-3-carboxamide
CID 62173096
4-chloro-N-(cyclopentylmethyl)quinoline-2-carboxamide
CID 63376122
1-amino-N-[2-(2-methoxyethoxy)ethyl]isoquinoline-3-carboxamide
CID 62160545
3-amino-N-(cyclobutylmethyl)naphthalene-2-carboxamide
CID 61209356
1-amino-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62155506
1-chloro-N-(2-cyclobutylethyl)isoquinoline-3-carboxamide
CID 115687065
1-amino-N-[2-oxo-2-(propylamino)ethyl]isoquinoline-3-carboxamide
CID 62156009
1-amino-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 80715100
N-(cyclohexylmethyl)quinoline-2-carboxamide
CID 2496984
N-(cyclohexylmethyl)isoquinoline-1-carboxamide
CID 1438626
6-N-(cyclohexylmethyl)pyridine-2,6-dicarboxamide
CID 139664789

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide (CID 55041878) is 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide is Nc1nc(C(=O)NCC2CCC2)cc2ccccc12.
What is the InChIKey of 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide?
The InChIKey is GQIRJBVBFDLWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-14-12-7-2-1-6-11(12)8-13(18-14)15(19)17-9-10-4-3-5-10/h1-2,6-8,10H,3-5,9H2,(H2,16,18)(H,17,19).
What are the key properties of 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide?
1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide has a molecular weight of 255.32 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(cyclobutylmethyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 55041878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).