2-amino-N-isoquinolin-6-ylpentanediamide

C14H16N4O2 — CID 135200054

IUPAC2-amino-N-isoquinolin-6-ylpentanediamide
SMILESNC(=O)CCC(N)C(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C14H16N4O2/c15-12(3-4-13(16)19)14(20)18-11-2-1-10-8-17-6-5-9(10)7-11/h1-2,5-8,12H,3-4,15H2,(H2,16,19)(H,18,20)
InChIKeyDDLXFPVMRCVREA-UHFFFAOYSA-N
MW272.31 g/mol
LogP0.77
Rot. Bonds5

About 2-amino-N-isoquinolin-6-ylpentanediamide

2-amino-N-isoquinolin-6-ylpentanediamide (PubChem CID 135200054) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-amino-N-isoquinolin-6-ylpentanediamide.

Molecular Properties

Compound Name2-amino-N-isoquinolin-6-ylpentanediamide
PubChem CID135200054
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-amino-N-isoquinolin-6-ylpentanediamide
SMILESNC(=O)CCC(N)C(=O)Nc1ccc2cnccc2c1
InChIInChI=1S/C14H16N4O2/c15-12(3-4-13(16)19)14(20)18-11-2-1-10-8-17-6-5-9(10)7-11/h1-2,5-8,12H,3-4,15H2,(H2,16,19)(H,18,20)
InChIKeyDDLXFPVMRCVREA-UHFFFAOYSA-N
XLogP0.77
TPSA111.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-naphthalen-2-ylpentanediamide
CID 7020027
(2R)-2-amino-N-isoquinolin-7-ylpropanamide
CID 143835727
4-amino-2-(4-hydroxyphenyl)-N-isoquinolin-6-ylbutanamide
CID 59563818
3-amino-N-isoquinolin-6-ylpropanamide;ethane
CID 153349000
N-isoquinolin-6-ylbutanamide
CID 118007953
(2R)-3-amino-2-(4-chlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 86270792
ethyl N-isoquinolin-6-ylcarbamate
CID 22674074
(2R)-3-amino-2-[4-(hydroxymethyl)phenyl]-N-isoquinolin-6-ylpropanamide
CID 139553989
N-isoquinolin-6-ylpropanamide;dihydrochloride
CID 66599624
(2S)-2-amino-N-(4-benzylphenyl)pentanediamide
CID 134586537
[4-[3-amino-1-(isoquinolin-6-ylamino)-1-oxopropan-2-yl]phenyl]boronic acid
CID 155582908
3-amino-2-(2,4-dichlorophenyl)-N-isoquinolin-6-ylpropanamide
CID 127031535

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-isoquinolin-6-ylpentanediamide?
The IUPAC name of 2-amino-N-isoquinolin-6-ylpentanediamide (CID 135200054) is 2-amino-N-isoquinolin-6-ylpentanediamide.
What is the SMILES notation for 2-amino-N-isoquinolin-6-ylpentanediamide?
The canonical SMILES for 2-amino-N-isoquinolin-6-ylpentanediamide is NC(=O)CCC(N)C(=O)Nc1ccc2cnccc2c1.
What is the InChIKey of 2-amino-N-isoquinolin-6-ylpentanediamide?
The InChIKey is DDLXFPVMRCVREA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c15-12(3-4-13(16)19)14(20)18-11-2-1-10-8-17-6-5-9(10)7-11/h1-2,5-8,12H,3-4,15H2,(H2,16,19)(H,18,20).
What are the key properties of 2-amino-N-isoquinolin-6-ylpentanediamide?
2-amino-N-isoquinolin-6-ylpentanediamide has a molecular weight of 272.31 g/mol, XLogP of 0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-isoquinolin-6-ylpentanediamide is sourced from PubChem (CID 135200054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).