N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide

C15H20N4O — CID 106773886

IUPACN-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
SMILESCCC(C)N(C)C(=O)c1cnc(NN)c2ccccc12
InChIInChI=1S/C15H20N4O/c1-4-10(2)19(3)15(20)13-9-17-14(18-16)12-8-6-5-7-11(12)13/h5-10H,4,16H2,1-3H3,(H,17,18)
InChIKeyLRZCSQAZKQNKCQ-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.39
Rot. Bonds4

About N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide

N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide (PubChem CID 106773886) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
PubChem CID106773886
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC NameN-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide
SMILESCCC(C)N(C)C(=O)c1cnc(NN)c2ccccc12
InChIInChI=1S/C15H20N4O/c1-4-10(2)19(3)15(20)13-9-17-14(18-16)12-8-6-5-7-11(12)13/h5-10H,4,16H2,1-3H3,(H,17,18)
InChIKeyLRZCSQAZKQNKCQ-UHFFFAOYSA-N
XLogP2.39
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
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-ethyl-1-hydrazinyl-N-propan-2-ylisoquinoline-4-carboxamide
CID 106773895
1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
CID 106773595
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
CID 106774378
1-(ethylamino)-N-(2-hydroxypropyl)-N-methylisoquinoline-4-carboxamide
CID 106771618
N-butan-2-yl-4-hydrazinyl-N,6-dimethylpyridine-3-carboxamide
CID 81256038
1-chloro-N-methyl-N-pentan-2-ylisoquinoline-4-carboxamide
CID 106765971
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770477
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
2-amino-N-butan-2-yl-N-methylquinoline-4-carboxamide
CID 62154754
1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide
CID 106770174
5-amino-N-butan-2-yl-N-methylpyridine-2-carboxamide
CID 81317064

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide?
The IUPAC name of N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide (CID 106773886) is N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide.
What is the SMILES notation for N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide?
The canonical SMILES for N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide is CCC(C)N(C)C(=O)c1cnc(NN)c2ccccc12.
What is the InChIKey of N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide?
The InChIKey is LRZCSQAZKQNKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-4-10(2)19(3)15(20)13-9-17-14(18-16)12-8-6-5-7-11(12)13/h5-10H,4,16H2,1-3H3,(H,17,18).
What are the key properties of N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide?
N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide has a molecular weight of 272.35 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-1-hydrazinyl-N-methylisoquinoline-4-carboxamide is sourced from PubChem (CID 106773886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).