5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide

C14H17N3O2 — CID 82571766

IUPAC5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide
SMILESCC(C)(CO)NC(=O)c1nccc2c(N)cccc12
InChIInChI=1S/C14H17N3O2/c1-14(2,8-18)17-13(19)12-10-4-3-5-11(15)9(10)6-7-16-12/h3-7,18H,8,15H2,1-2H3,(H,17,19)
InChIKeyDHJICKVGDJJYPQ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.32
Rot. Bonds3

About 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide

5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide (PubChem CID 82571766) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide.

Molecular Properties

Compound Name5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide
PubChem CID82571766
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide
SMILESCC(C)(CO)NC(=O)c1nccc2c(N)cccc12
InChIInChI=1S/C14H17N3O2/c1-14(2,8-18)17-13(19)12-10-4-3-5-11(15)9(10)6-7-16-12/h3-7,18H,8,15H2,1-2H3,(H,17,19)
InChIKeyDHJICKVGDJJYPQ-UHFFFAOYSA-N
XLogP1.32
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(furan-2-ylmethyl)isoquinoline-1-carboxamide
CID 82571771
8-amino-N-tert-butylisoquinoline-1-carboxamide
CID 82571794
3-amino-N-(4-amino-2-methyl-4-oxobutan-2-yl)pyridine-2-carboxamide
CID 106096469
N-(1-hydroxy-2-methylpropan-2-yl)-1H-pyrrolo[2,3-b]pyridine-4-carboxamide
CID 20784555
N-tert-butylisoquinoline-1-carboxamide
CID 62046176
6-amino-N-(1-hydroxy-2-methylpropan-2-yl)pyridine-2-carboxamide
CID 71114856
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 43498520
1-N-(2-methoxyethyl)isoquinoline-1,5-diamine
CID 82570231
4-amino-N-(4-hydroxy-2-methylbutan-2-yl)naphthalene-1-carboxamide
CID 177151717
N-[(2S)-1-amino-1-oxo-2-phenylpropan-2-yl]isoquinoline-1-carboxamide
CID 96523163
4-amino-N-(1-hydroxy-2-methylpropan-2-yl)-1,2,5-oxadiazole-3-carboxamide
CID 62687769
3-amino-N-(1-hydroxy-2-methylpropan-2-yl)naphthalene-2-carboxamide
CID 61209365

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide?
The IUPAC name of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide (CID 82571766) is 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide.
What is the SMILES notation for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide?
The canonical SMILES for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide is CC(C)(CO)NC(=O)c1nccc2c(N)cccc12.
What is the InChIKey of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide?
The InChIKey is DHJICKVGDJJYPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-14(2,8-18)17-13(19)12-10-4-3-5-11(15)9(10)6-7-16-12/h3-7,18H,8,15H2,1-2H3,(H,17,19).
What are the key properties of 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide?
5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide has a molecular weight of 259.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(1-hydroxy-2-methylpropan-2-yl)isoquinoline-1-carboxamide is sourced from PubChem (CID 82571766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).