1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide

C15H13N3OS — CID 106770448

IUPAC1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCc2cccs2)c2ccccc12
InChIInChI=1S/C15H13N3OS/c16-14-12-6-2-1-5-11(12)13(9-17-14)15(19)18-8-10-4-3-7-20-10/h1-7,9H,8H2,(H2,16,17)(H,18,19)
InChIKeyLCCNZMAKUHRQOU-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.81
Rot. Bonds3

About 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide

1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide (PubChem CID 106770448) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
PubChem CID106770448
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide
SMILESNc1ncc(C(=O)NCc2cccs2)c2ccccc12
InChIInChI=1S/C15H13N3OS/c16-14-12-6-2-1-5-11(12)13(9-17-14)15(19)18-8-10-4-3-7-20-10/h1-7,9H,8H2,(H2,16,17)(H,18,19)
InChIKeyLCCNZMAKUHRQOU-UHFFFAOYSA-N
XLogP2.81
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-amino-N-(1,3-thiazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106772963
1-amino-N-(2H-tetrazol-5-ylmethyl)isoquinoline-4-carboxamide
CID 106771195
2-amino-5-chloro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 114922128
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
2-(sulfanylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 143453857
2-[(1-aminoisoquinoline-4-carbonyl)amino]ethyl carbamate
CID 106772640
2-methyl-N-(thiophen-2-ylmethyl)benzamide
CID 3580913
3-amino-6-(2-carbamoylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 145216836
4-amino-N-(thiophen-2-ylmethyl)pyridine-2-carboxamide
CID 62153900
1-amino-N-(4,4,4-trifluorobutyl)isoquinoline-4-carboxamide
CID 106772541
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide (CID 106770448) is 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide is Nc1ncc(C(=O)NCc2cccs2)c2ccccc12.
What is the InChIKey of 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide?
The InChIKey is LCCNZMAKUHRQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c16-14-12-6-2-1-5-11(12)13(9-17-14)15(19)18-8-10-4-3-7-20-10/h1-7,9H,8H2,(H2,16,17)(H,18,19).
What are the key properties of 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide?
1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide has a molecular weight of 283.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(thiophen-2-ylmethyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106770448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).