N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide

C14H19N5O — CID 62249892

IUPACN-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccccc2c(NN)n1
InChIInChI=1S/C14H19N5O/c1-19(2)8-7-16-14(20)12-9-10-5-3-4-6-11(10)13(17-12)18-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyGWWCACLUEYQWEJ-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.81
Rot. Bonds5

About N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide

N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide (PubChem CID 62249892) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
PubChem CID62249892
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
SMILESCN(C)CCNC(=O)c1cc2ccccc2c(NN)n1
InChIInChI=1S/C14H19N5O/c1-19(2)8-7-16-14(20)12-9-10-5-3-4-6-11(10)13(17-12)18-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,20)(H,17,18)
InChIKeyGWWCACLUEYQWEJ-UHFFFAOYSA-N
XLogP0.81
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
CID 62249319
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62243238
N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62234848
N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243552
N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62236420
N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide
CID 62241182
1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide
CID 81178122
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
N-[2-(dimethylamino)ethyl]-6-hydrazinylpyridine-2-carboxamide
CID 62247180
N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243189
1-chloro-N-[2-[ethyl(methyl)amino]ethyl]isoquinoline-3-carboxamide
CID 62641651
N-ethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 55042554

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide (CID 62249892) is N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide is CN(C)CCNC(=O)c1cc2ccccc2c(NN)n1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide?
The InChIKey is GWWCACLUEYQWEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19(2)8-7-16-14(20)12-9-10-5-3-4-6-11(10)13(17-12)18-15/h3-6,9H,7-8,15H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide?
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 0.81, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide is sourced from PubChem (CID 62249892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).