5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide

C14H17N3O — CID 82571919

IUPAC5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide
SMILESCc1ccc(N)c2ccnc(C(=O)NC(C)C)c12
InChIInChI=1S/C14H17N3O/c1-8(2)17-14(18)13-12-9(3)4-5-11(15)10(12)6-7-16-13/h4-8H,15H2,1-3H3,(H,17,18)
InChIKeyXFAJTSOBXGXLRR-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.26
Rot. Bonds2

About 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide

5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide (PubChem CID 82571919) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide.

Molecular Properties

Compound Name5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide
PubChem CID82571919
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide
SMILESCc1ccc(N)c2ccnc(C(=O)NC(C)C)c12
InChIInChI=1S/C14H17N3O/c1-8(2)17-14(18)13-12-9(3)4-5-11(15)10(12)6-7-16-13/h4-8H,15H2,1-3H3,(H,17,18)
InChIKeyXFAJTSOBXGXLRR-UHFFFAOYSA-N
XLogP2.26
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.26
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

5-amino-8-fluoro-N-(2-hydroxypropyl)isoquinoline-1-carboxamide
CID 82571947
1-[(5-amino-8-methylisoquinolin-1-yl)amino]propan-2-ol
CID 82570587
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121
3-hydroxy-4-methoxy-N-propan-2-ylpyridine-2-carboxamide
CID 142553714
4-amino-N-propan-2-ylpyrimidine-2-carboxamide
CID 117213055
5-amino-1-(2-methylphenyl)-N-propan-2-yltriazole-4-carboxamide
CID 27261922
N-(1-amino-1-sulfanylidenepropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62339475
N-(4-aminobutan-2-yl)-3-methylpyridine-2-carboxamide
CID 62340960
methyl 8-amino-5-fluoroisoquinoline-1-carboxylate
CID 82572045
5-amino-N-propan-2-yl-1,3-thiazole-4-carboxamide
CID 117214875
N-(1-hydroxypropan-2-yl)-3-methylpyridine-2-carboxamide
CID 62341368
methyl 4-methyl-2-[(3-methylpyridine-2-carbonyl)amino]pentanoate
CID 62338800

Frequently Asked Questions

What is the IUPAC name of 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide?
The IUPAC name of 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide (CID 82571919) is 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide.
What is the SMILES notation for 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide?
The canonical SMILES for 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide is Cc1ccc(N)c2ccnc(C(=O)NC(C)C)c12.
What is the InChIKey of 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide?
The InChIKey is XFAJTSOBXGXLRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-8(2)17-14(18)13-12-9(3)4-5-11(15)10(12)6-7-16-13/h4-8H,15H2,1-3H3,(H,17,18).
What are the key properties of 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide?
5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.26, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-8-methyl-N-propan-2-ylisoquinoline-1-carboxamide is sourced from PubChem (CID 82571919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).