5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide

C14H15N3O — CID 82571829

IUPAC5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide
SMILESCc1cc(N)c2ccnc(C(=O)NC3CC3)c2c1
InChIInChI=1S/C14H15N3O/c1-8-6-11-10(12(15)7-8)4-5-16-13(11)14(18)17-9-2-3-9/h4-7,9H,2-3,15H2,1H3,(H,17,18)
InChIKeyLFVBAENLAYVKMJ-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.02
Rot. Bonds2

About 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide

5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide (PubChem CID 82571829) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide
PubChem CID82571829
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide
SMILESCc1cc(N)c2ccnc(C(=O)NC3CC3)c2c1
InChIInChI=1S/C14H15N3O/c1-8-6-11-10(12(15)7-8)4-5-16-13(11)14(18)17-9-2-3-9/h4-7,9H,2-3,15H2,1H3,(H,17,18)
InChIKeyLFVBAENLAYVKMJ-UHFFFAOYSA-N
XLogP2.02
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-N-cyclopropyl-4-methylbenzamide;hydrochloride
CID 141105148
N-cycloheptyl-2,7-naphthyridine-1-carboxamide
CID 166311293
3-amino-N-(1,1-dioxothian-4-yl)pyridine-2-carboxamide
CID 104741112
1-(2-amino-4-methylphenyl)-3-cyclopropylurea
CID 62699288
3-amino-N-(4-aminocyclohexyl)pyrazine-2-carboxamide;dihydrochloride
CID 119474422
3-amino-N-(1-cyclopropylpiperidin-4-yl)pyridine-2-carboxamide
CID 104741372
3-amino-N-(3,4-dimethylcyclohexyl)pyridine-2-carboxamide
CID 113447750
4-[(5-amino-7-methylisoquinolin-1-yl)amino]butanoic acid
CID 82570362
5-amino-7-fluoro-N-(3-hydroxypropyl)isoquinoline-1-carboxamide
CID 82571860
2-[(5-amino-7-methylisoquinolin-1-yl)amino]ethanol
CID 82570326
2-amino-N-(4-propylcyclohexyl)pyridine-4-carboxamide
CID 55042146
3-(2-amino-4-methylanilino)-N-cyclopropylpropanamide
CID 79385467

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide?
The IUPAC name of 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide (CID 82571829) is 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide.
What is the SMILES notation for 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide?
The canonical SMILES for 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide is Cc1cc(N)c2ccnc(C(=O)NC3CC3)c2c1.
What is the InChIKey of 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide?
The InChIKey is LFVBAENLAYVKMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-8-6-11-10(12(15)7-8)4-5-16-13(11)14(18)17-9-2-3-9/h4-7,9H,2-3,15H2,1H3,(H,17,18).
What are the key properties of 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide?
5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.02, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-cyclopropyl-7-methylisoquinoline-1-carboxamide is sourced from PubChem (CID 82571829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).