5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide

C15H13N3O2 — CID 82571771

IUPAC5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide
SMILESNc1cccc2c(C(=O)NCc3ccco3)nccc12
InChIInChI=1S/C15H13N3O2/c16-13-5-1-4-12-11(13)6-7-17-14(12)15(19)18-9-10-3-2-8-20-10/h1-8H,9,16H2,(H,18,19)
InChIKeyUWKMYRSGRWLNMP-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.34
Rot. Bonds3

About 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide

5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide (PubChem CID 82571771) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide
PubChem CID82571771
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide
SMILESNc1cccc2c(C(=O)NCc3ccco3)nccc12
InChIInChI=1S/C15H13N3O2/c16-13-5-1-4-12-11(13)6-7-17-14(12)15(19)18-9-10-3-2-8-20-10/h1-8H,9,16H2,(H,18,19)
InChIKeyUWKMYRSGRWLNMP-UHFFFAOYSA-N
XLogP2.34
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(furan-2-ylmethyl)-2H-triazole-4-carboxamide
CID 110484783
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide
CID 82571766
6-amino-N-(furan-2-ylmethyl)pyridazine-3-carboxamide
CID 62156387
2-amino-N-(furan-2-ylmethyl)-6-methylbenzamide
CID 16782827
1-N,3-N-bis(furan-2-ylmethyl)benzene-1,3-dicarboxamide
CID 743261
N-(furan-2-ylmethyl)-2-naphthalen-1-ylacetamide
CID 823822
2-amino-N-(furan-2-ylmethyl)acetamide
CID 7130773
5-amino-N-(furan-2-ylmethyl)furan-2-carboxamide
CID 82344099
N-[[3-(furan-2-ylmethylcarbamoyl)phenyl]methyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 55923658
4-amino-5-cyclopropyl-N-(furan-2-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62075964
2-[(3-amino-2-pyridinyl)sulfanyl]-N-(furan-2-ylmethyl)acetamide
CID 43300547
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide?
The IUPAC name of 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide (CID 82571771) is 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide.
What is the SMILES notation for 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide?
The canonical SMILES for 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide is Nc1cccc2c(C(=O)NCc3ccco3)nccc12.
What is the InChIKey of 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide?
The InChIKey is UWKMYRSGRWLNMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c16-13-5-1-4-12-11(13)6-7-17-14(12)15(19)18-9-10-3-2-8-20-10/h1-8H,9,16H2,(H,18,19).
What are the key properties of 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide?
5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 2.34, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 82571771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).