N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide

C15H20N4O — CID 62234848

IUPACN-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc2ccccc2c(NN)n1
InChIInChI=1S/C15H20N4O/c1-3-4-9-19(2)15(20)13-10-11-7-5-6-8-12(11)14(17-13)18-16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18)
InChIKeyHMGRFUGLVNMFLT-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds5

About N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide

N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide (PubChem CID 62234848) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
PubChem CID62234848
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
SMILESCCCCN(C)C(=O)c1cc2ccccc2c(NN)n1
InChIInChI=1S/C15H20N4O/c1-3-4-9-19(2)15(20)13-10-11-7-5-6-8-12(11)14(17-13)18-16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18)
InChIKeyHMGRFUGLVNMFLT-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62236420
N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide
CID 62241182
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
4-hydrazinyl-N-methyl-N-pentylquinoline-2-carboxamide
CID 63375517
N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243552
N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243189
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-3-carboxamide
CID 62337215
N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 62171251
4-chloro-N-methyl-N-pentylquinoline-2-carboxamide
CID 63376032
1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
CID 62249319
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551
N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62174192

Frequently Asked Questions

What is the IUPAC name of N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The IUPAC name of N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide (CID 62234848) is N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide.
What is the SMILES notation for N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The canonical SMILES for N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide is CCCCN(C)C(=O)c1cc2ccccc2c(NN)n1.
What is the InChIKey of N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The InChIKey is HMGRFUGLVNMFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-3-4-9-19(2)15(20)13-10-11-7-5-6-8-12(11)14(17-13)18-16/h5-8,10H,3-4,9,16H2,1-2H3,(H,17,18).
What are the key properties of N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide is sourced from PubChem (CID 62234848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).