5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

C16H21N3O2 — CID 51088917

IUPAC5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(=O)Nc1cccc2c1CCN(C(=O)NCC1CC1)C2
InChIInChI=1S/C16H21N3O2/c1-11(20)18-15-4-2-3-13-10-19(8-7-14(13)15)16(21)17-9-12-5-6-12/h2-4,12H,5-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyGWKFJUFIHSUQFS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds3

About 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (PubChem CID 51088917) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.

Molecular Properties

Compound Name5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
PubChem CID51088917
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide
SMILESCC(=O)Nc1cccc2c1CCN(C(=O)NCC1CC1)C2
InChIInChI=1S/C16H21N3O2/c1-11(20)18-15-4-2-3-13-10-19(8-7-14(13)15)16(21)17-9-12-5-6-12/h2-4,12H,5-10H2,1H3,(H,17,21)(H,18,20)
InChIKeyGWKFJUFIHSUQFS-UHFFFAOYSA-N
XLogP2.12
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The IUPAC name of 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide (CID 51088917) is 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide.
What is the SMILES notation for 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The canonical SMILES for 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is CC(=O)Nc1cccc2c1CCN(C(=O)NCC1CC1)C2.
What is the InChIKey of 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
The InChIKey is GWKFJUFIHSUQFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11(20)18-15-4-2-3-13-10-19(8-7-14(13)15)16(21)17-9-12-5-6-12/h2-4,12H,5-10H2,1H3,(H,17,21)(H,18,20).
What are the key properties of 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide?
5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetamido-N-(cyclopropylmethyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide is sourced from PubChem (CID 51088917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).