1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide

C15H18N4O2 — CID 106098409

IUPAC1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H18N4O2/c1-15(2,7-12(16)20)19-14(21)11-8-18-13(17)10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3,(H2,16,20)(H2,17,18)(H,19,21)
InChIKeyFMUUUWZCJJSXJF-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.20
Rot. Bonds4

About 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide

1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide (PubChem CID 106098409) has the molecular formula C15H18N4O2 and a molecular weight of 286.33 g/mol. Its IUPAC name is 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
PubChem CID106098409
Molecular FormulaC15H18N4O2
Molecular Weight286.33 g/mol
Exact Mass286.14
IUPAC Name1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide
SMILESCC(C)(CC(N)=O)NC(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H18N4O2/c1-15(2,7-12(16)20)19-14(21)11-8-18-13(17)10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3,(H2,16,20)(H2,17,18)(H,19,21)
InChIKeyFMUUUWZCJJSXJF-UHFFFAOYSA-N
XLogP1.20
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-methylpyridine-3-carboxamide
CID 106095327
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
N-(4-amino-2-methyl-4-oxobutan-2-yl)-2-(ethylamino)benzamide
CID 106097445
1-amino-N-cyclopentylisoquinoline-4-carboxamide
CID 106770096
1-(ethylamino)-N-(2-methylbutan-2-yl)isoquinoline-4-carboxamide
CID 106770044
2-[(1-aminoisoquinoline-4-carbonyl)amino]ethyl carbamate
CID 106772640
2-(2-aminoethyl)-N-(4-amino-2-methyl-4-oxobutan-2-yl)benzamide
CID 106096520
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
CID 106096469
1-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)isoquinoline-4-carboxamide
CID 106772932
1-amino-N-(2-methylpentan-3-yl)isoquinoline-4-carboxamide
CID 106771061
1-amino-N-(cyclopropylmethyl)isoquinoline-4-carboxamide
CID 106770157
N-(4-amino-2-methyl-4-oxobutan-2-yl)-4-hydrazinylpyridine-3-carboxamide
CID 106098486

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide (CID 106098409) is 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide is CC(C)(CC(N)=O)NC(=O)c1cnc(N)c2ccccc12.
What is the InChIKey of 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide?
The InChIKey is FMUUUWZCJJSXJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2/c1-15(2,7-12(16)20)19-14(21)11-8-18-13(17)10-6-4-3-5-9(10)11/h3-6,8H,7H2,1-2H3,(H2,16,20)(H2,17,18)(H,19,21).
What are the key properties of 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide?
1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.20, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106098409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).