N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide

C16H20N4O — CID 62243189

IUPACN-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2c(NN)n1)C1CCCC1
InChIInChI=1S/C16H20N4O/c1-20(12-7-3-4-8-12)16(21)14-10-11-6-2-5-9-13(11)15(18-14)19-17/h2,5-6,9-10,12H,3-4,7-8,17H2,1H3,(H,18,19)
InChIKeyXIOBFTVGOGKNMA-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.54
Rot. Bonds3

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

N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide (PubChem CID 62243189) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
PubChem CID62243189
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
SMILESCN(C(=O)c1cc2ccccc2c(NN)n1)C1CCCC1
InChIInChI=1S/C16H20N4O/c1-20(12-7-3-4-8-12)16(21)14-10-11-6-2-5-9-13(11)15(18-14)19-17/h2,5-6,9-10,12H,3-4,7-8,17H2,1H3,(H,18,19)
InChIKeyXIOBFTVGOGKNMA-UHFFFAOYSA-N
XLogP2.54
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.54
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-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243552
1-chloro-N-cyclobutyl-N-methylisoquinoline-3-carboxamide
CID 115649159
N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62236420
N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide
CID 62241182
N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62234848
N-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
CID 62242128
1-amino-N-methyl-N-(oxolan-3-yl)isoquinoline-3-carboxamide
CID 82743415
N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
CID 62170487
N-cycloheptyl-4-hydrazinyl-N-methylpyridine-2-carboxamide
CID 62236519
6-[cyclopentyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 43558469
1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
CID 62249319

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide (CID 62243189) is N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide is CN(C(=O)c1cc2ccccc2c(NN)n1)C1CCCC1.
What is the InChIKey of N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The InChIKey is XIOBFTVGOGKNMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-20(12-7-3-4-8-12)16(21)14-10-11-6-2-5-9-13(11)15(18-14)19-17/h2,5-6,9-10,12H,3-4,7-8,17H2,1H3,(H,18,19).
What are the key properties of N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide is sourced from PubChem (CID 62243189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).