2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide

C13H14N4O2 — CID 54928661

IUPAC2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H14N4O2/c14-6-12(18)16-8-13(19)17-11-3-1-2-9-7-15-5-4-10(9)11/h1-5,7H,6,8,14H2,(H,16,18)(H,17,19)
InChIKeyNWUHKTFNAGJZJY-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.25
Rot. Bonds4

About 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide

2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide (PubChem CID 54928661) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
PubChem CID54928661
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide
SMILESNCC(=O)NCC(=O)Nc1cccc2cnccc12
InChIInChI=1S/C13H14N4O2/c14-6-12(18)16-8-13(19)17-11-3-1-2-9-7-15-5-4-10(9)11/h1-5,7H,6,8,14H2,(H,16,18)(H,17,19)
InChIKeyNWUHKTFNAGJZJY-UHFFFAOYSA-N
XLogP0.25
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]-4-methylbenzamide
CID 29372226
N-isoquinolin-5-yl-2-(propan-2-ylamino)acetamide
CID 54924139
2-anilino-N-isoquinolin-5-ylacetamide
CID 60860768
N-isoquinolin-5-yl-3-sulfanylpropanamide
CID 107023450
N-isoquinolin-5-yl-3,3-dimethylbutanamide
CID 29371824
2-amino-N-[2-[(5-hydroxynaphthalen-1-yl)amino]-2-oxoethyl]acetamide
CID 60849261
3-(ethylamino)-N-isoquinolin-5-ylpropanamide
CID 62831440
2-(4-chlorophenyl)-N-isoquinolin-5-ylacetamide
CID 8763151
2-ethoxy-N-isoquinolin-5-ylacetamide
CID 60719162
3-(isoquinolin-5-ylcarbamoylamino)propanoic acid
CID 61205972
2-amino-N-naphthalen-1-ylacetamide;hydrochloride
CID 47003070
3-(4-chlorophenyl)-N-isoquinolin-5-ylpropanamide
CID 29372808

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide (CID 54928661) is 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide is NCC(=O)NCC(=O)Nc1cccc2cnccc12.
What is the InChIKey of 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide?
The InChIKey is NWUHKTFNAGJZJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c14-6-12(18)16-8-13(19)17-11-3-1-2-9-7-15-5-4-10(9)11/h1-5,7H,6,8,14H2,(H,16,18)(H,17,19).
What are the key properties of 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide?
2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide has a molecular weight of 258.28 g/mol, XLogP of 0.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(isoquinolin-5-ylamino)-2-oxoethyl]acetamide is sourced from PubChem (CID 54928661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).