5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide

C15H19N3O2 — CID 106238801

IUPAC5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
SMILESCOc1cccc2c(NCCCCC(N)=O)nccc12
InChIInChI=1S/C15H19N3O2/c1-20-13-6-4-5-12-11(13)8-10-18-15(12)17-9-3-2-7-14(16)19/h4-6,8,10H,2-3,7,9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyYUKDNKPHZLBEOR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.31
Rot. Bonds7

About 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide

5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide (PubChem CID 106238801) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide.

Molecular Properties

Compound Name5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
PubChem CID106238801
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide
SMILESCOc1cccc2c(NCCCCC(N)=O)nccc12
InChIInChI=1S/C15H19N3O2/c1-20-13-6-4-5-12-11(13)8-10-18-15(12)17-9-3-2-7-14(16)19/h4-6,8,10H,2-3,7,9H2,1H3,(H2,16,19)(H,17,18)
InChIKeyYUKDNKPHZLBEOR-UHFFFAOYSA-N
XLogP2.31
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(5-methoxyisoquinolin-1-yl)amino]ethylurea
CID 106539332
5-methoxy-N-pentylisoquinolin-1-amine
CID 106537272
N-(3-chloropropyl)-5-methoxyisoquinolin-1-amine
CID 106542642
5-[(5-bromoisoquinolin-1-yl)amino]pentanamide
CID 106238554
N-ethyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539420
N-hex-5-ynyl-5-methoxyisoquinolin-1-amine
CID 106214608
N-[3-[(5-methoxyisoquinolin-1-yl)amino]propyl]methanesulfonamide
CID 106337312
5-methoxy-N-(3-methylsulfinylpropyl)isoquinolin-1-amine
CID 106539682
N-cyclopropyl-3-[(5-methoxyisoquinolin-1-yl)amino]propanamide
CID 106539065
3-[(5-methoxyisoquinolin-1-yl)amino]butanamide
CID 106539785
methyl 6-[(5-bromoisoquinolin-1-yl)amino]hexanoate
CID 106541889
N-(2-ethoxyethyl)-5-methoxyisoquinolin-1-amine
CID 106537643

Frequently Asked Questions

What is the IUPAC name of 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide?
The IUPAC name of 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide (CID 106238801) is 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide.
What is the SMILES notation for 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide?
The canonical SMILES for 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide is COc1cccc2c(NCCCCC(N)=O)nccc12.
What is the InChIKey of 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide?
The InChIKey is YUKDNKPHZLBEOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-20-13-6-4-5-12-11(13)8-10-18-15(12)17-9-3-2-7-14(16)19/h4-6,8,10H,2-3,7,9H2,1H3,(H2,16,19)(H,17,18).
What are the key properties of 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide?
5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide has a molecular weight of 273.34 g/mol, XLogP of 2.31, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-methoxyisoquinolin-1-yl)amino]pentanamide is sourced from PubChem (CID 106238801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).