N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide

C14H16N4O — CID 62243552

IUPACN-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2c(NN)n1)C1CC1
InChIInChI=1S/C14H16N4O/c1-18(10-6-7-10)14(19)12-8-9-4-2-3-5-11(9)13(16-12)17-15/h2-5,8,10H,6-7,15H2,1H3,(H,16,17)
InChIKeyQZBJFBWHLIGLGT-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.75
Rot. Bonds3

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

N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide (PubChem CID 62243552) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
PubChem CID62243552
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2c(NN)n1)C1CC1
InChIInChI=1S/C14H16N4O/c1-18(10-6-7-10)14(19)12-8-9-4-2-3-5-11(9)13(16-12)17-15/h2-5,8,10H,6-7,15H2,1H3,(H,16,17)
InChIKeyQZBJFBWHLIGLGT-UHFFFAOYSA-N
XLogP1.75
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.75
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-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243189
N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide
CID 62241182
N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62236420
1-chloro-N-cyclobutyl-N-methylisoquinoline-3-carboxamide
CID 115649159
N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62234848
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
CID 62170487
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
CID 62242128
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415
1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
CID 62249319
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62243238
N-[(3S)-1,1-dioxothiolan-3-yl]-1-methoxy-N-methylisoquinoline-3-carboxamide
CID 97314912

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The IUPAC name of N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide (CID 62243552) is N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide is CN(C(=O)c1cc2ccccc2c(NN)n1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The InChIKey is QZBJFBWHLIGLGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c1-18(10-6-7-10)14(19)12-8-9-4-2-3-5-11(9)13(16-12)17-15/h2-5,8,10H,6-7,15H2,1H3,(H,16,17).
What are the key properties of N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide is sourced from PubChem (CID 62243552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).