N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide

C15H18N4O — CID 62236420

IUPACN-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
SMILESCN(CC1CC1)C(=O)c1cc2ccccc2c(NN)n1
InChIInChI=1S/C15H18N4O/c1-19(9-10-6-7-10)15(20)13-8-11-4-2-3-5-12(11)14(17-13)18-16/h2-5,8,10H,6-7,9,16H2,1H3,(H,17,18)
InChIKeyVNNCHRBUEMXWFB-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.00
Rot. Bonds4

About N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide

N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide (PubChem CID 62236420) has the molecular formula C15H18N4O and a molecular weight of 270.34 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
PubChem CID62236420
Molecular FormulaC15H18N4O
Molecular Weight270.34 g/mol
Exact Mass270.15
IUPAC NameN-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
SMILESCN(CC1CC1)C(=O)c1cc2ccccc2c(NN)n1
InChIInChI=1S/C15H18N4O/c1-19(9-10-6-7-10)15(20)13-8-11-4-2-3-5-12(11)14(17-13)18-16/h2-5,8,10H,6-7,9,16H2,1H3,(H,17,18)
InChIKeyVNNCHRBUEMXWFB-UHFFFAOYSA-N
XLogP2.00
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.00
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

6-({[(2-ethylphenyl)methyl]carbamoyl}amino)-N,N-dimethylpyridine-2-carboxamide
CID 75376652
N-hexyl-2-[(2E)-2-(2-methylpropylidene)hydrazino]quinoline-4-carboxamide
CID 24777267
(4-Methyl-piperazin-1-yl)-[2-(N'-propylidene-hydrazino)-quinolin-4-yl]methanone
CID 24777525
3-(dimethylamino)-N-methyl-N-[(2S)-1-[methyl-[N-methylidene-N'-[(E)-3,3,3-trifluoro-2-methylprop-1-enyl]carbamimidoyl]amino]butan-2-yl]isoquinoline-1-carboxamide
CID 155077442
US12486251, Example 58
CID 178254937
2-Hydrazinocinchoninic acid cyclohexylamide
CID 14813199
2-Hydrazinocinchoninic acid isopropylamide
CID 15321630
N-[(4-fluorophenyl)methyl]-6-hydrazinylpyridine-2-carboxamide
CID 55052563
1-amino-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide
CID 62153424
1-amino-N-ethyl-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide
CID 62161690
1-amino-N-methyl-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide
CID 62162156
1-(methylamino)-N-(2,2,2-trifluoroethyl)isoquinoline-3-carboxamide
CID 62171034

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide (CID 62236420) is N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide is CN(CC1CC1)C(=O)c1cc2ccccc2c(NN)n1.
What is the InChIKey of N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
The InChIKey is VNNCHRBUEMXWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O/c1-19(9-10-6-7-10)15(20)13-8-11-4-2-3-5-12(11)14(17-13)18-16/h2-5,8,10H,6-7,9,16H2,1H3,(H,17,18).
What are the key properties of N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide?
N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide has a molecular weight of 270.34 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide is sourced from PubChem (CID 62236420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).