N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide

C15H21N5O — CID 106773595

IUPACN-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(NN)c2ccccc12
InChIInChI=1S/C15H21N5O/c1-20(2)9-5-8-17-15(21)13-10-18-14(19-16)12-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyOJFBQYBHPNUDBO-UHFFFAOYSA-N
MW287.37 g/mol
LogP1.20
Rot. Bonds6

About N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide

N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide (PubChem CID 106773595) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
PubChem CID106773595
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC NameN-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
SMILESCN(C)CCCNC(=O)c1cnc(NN)c2ccccc12
InChIInChI=1S/C15H21N5O/c1-20(2)9-5-8-17-15(21)13-10-18-14(19-16)12-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9,16H2,1-2H3,(H,17,21)(H,18,19)
InChIKeyOJFBQYBHPNUDBO-UHFFFAOYSA-N
XLogP1.20
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(dimethylamino)propyl]-2-hydrazinylpyridine-3-carboxamide
CID 60920879
1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
CID 106774378
1-[3-(dimethylamino)propylamino]isoquinoline-4-carboxylic acid
CID 106766513
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901
N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
CID 106773886
1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
CID 106774391
N-[3-(dimethylamino)propyl]-4-hydrazinyl-6-methylpyridine-3-carboxamide
CID 81256000
N-[3-(dimethylamino)propyl]quinazoline-4-carboxamide
CID 110702658
1-hydrazinyl-N-(1H-pyrazol-4-ylmethyl)isoquinoline-4-carboxamide
CID 106773855
1-hydrazinyl-N-(thiophen-3-ylmethyl)isoquinoline-4-carboxamide
CID 106774052
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide?
The IUPAC name of N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide (CID 106773595) is N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide.
What is the SMILES notation for N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide?
The canonical SMILES for N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide is CN(C)CCCNC(=O)c1cnc(NN)c2ccccc12.
What is the InChIKey of N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide?
The InChIKey is OJFBQYBHPNUDBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-20(2)9-5-8-17-15(21)13-10-18-14(19-16)12-7-4-3-6-11(12)13/h3-4,6-7,10H,5,8-9,16H2,1-2H3,(H,17,21)(H,18,19).
What are the key properties of N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide?
N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide has a molecular weight of 287.37 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide is sourced from PubChem (CID 106773595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).