1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide

C14H13N5O2 — CID 106773338

IUPAC1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NN)c3ccccc23)on1
InChIInChI=1S/C14H13N5O2/c1-8-6-12(21-19-8)17-14(20)11-7-16-13(18-15)10-5-3-2-4-9(10)11/h2-7H,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyUVVPFGZNQDAVJZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.07
Rot. Bonds3

About 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide

1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide (PubChem CID 106773338) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
PubChem CID106773338
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide
SMILESCc1cc(NC(=O)c2cnc(NN)c3ccccc23)on1
InChIInChI=1S/C14H13N5O2/c1-8-6-12(21-19-8)17-14(20)11-7-16-13(18-15)10-5-3-2-4-9(10)11/h2-7H,15H2,1H3,(H,16,18)(H,17,20)
InChIKeyUVVPFGZNQDAVJZ-UHFFFAOYSA-N
XLogP2.07
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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

1-hydrazinylisoquinoline-4-carbohydrazide
CID 165346130
1-hydrazinyl-N-(2-propan-2-yloxyethyl)isoquinoline-4-carboxamide
CID 106774378
1-hydrazinyl-N-(2-methyltetrazol-5-yl)isoquinoline-4-carboxamide
CID 106774275
1-hydrazinyl-N-(thiadiazol-5-yl)isoquinoline-4-carboxamide
CID 106774508
2-amino-3-fluoro-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 62648700
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-4-carboxamide
CID 106773929
2,4-diamino-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 61089900
N-[3-(dimethylamino)propyl]-1-hydrazinylisoquinoline-4-carboxamide
CID 106773595
1-hydrazinyl-N-(3-methylcyclobutyl)isoquinoline-4-carboxamide
CID 106774391
N-ethyl-1-hydrazinyl-N-propan-2-ylisoquinoline-4-carboxamide
CID 106773895
2,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 3076186
4-hydroxy-2-methyl-N-(3-methyl-1,2-oxazol-5-yl)benzamide
CID 113341390

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide?
The IUPAC name of 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide (CID 106773338) is 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide is Cc1cc(NC(=O)c2cnc(NN)c3ccccc23)on1.
What is the InChIKey of 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide?
The InChIKey is UVVPFGZNQDAVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c1-8-6-12(21-19-8)17-14(20)11-7-16-13(18-15)10-5-3-2-4-9(10)11/h2-7H,15H2,1H3,(H,16,18)(H,17,20).
What are the key properties of 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide?
1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide has a molecular weight of 283.29 g/mol, XLogP of 2.07, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-(3-methyl-1,2-oxazol-5-yl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106773338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).