N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide

C14H17N3O — CID 54924139

IUPACN-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C14H17N3O/c1-10(2)16-9-14(18)17-13-5-3-4-11-8-15-7-6-12(11)13/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyOEALETYIKAHTDM-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.17
Rot. Bonds4

About N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide

N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide (PubChem CID 54924139) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide.

Molecular Properties

Compound NameN-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
PubChem CID54924139
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC NameN-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
SMILESCC(C)NCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C14H17N3O/c1-10(2)16-9-14(18)17-13-5-3-4-11-8-15-7-6-12(11)13/h3-8,10,16H,9H2,1-2H3,(H,17,18)
InChIKeyOEALETYIKAHTDM-UHFFFAOYSA-N
XLogP2.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide?
The IUPAC name of N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide (CID 54924139) is N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide.
What is the SMILES notation for N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide?
The canonical SMILES for N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide is CC(C)NCC(=O)Nc1cccc2cnccc12.
What is the InChIKey of N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide?
The InChIKey is OEALETYIKAHTDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)16-9-14(18)17-13-5-3-4-11-8-15-7-6-12(11)13/h3-8,10,16H,9H2,1-2H3,(H,17,18).
What are the key properties of N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide?
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide has a molecular weight of 243.31 g/mol, XLogP of 2.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide is sourced from PubChem (CID 54924139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).