1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide

C14H17N5O2 — CID 62249319

IUPAC1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1cc2ccccc2c(NN)n1
InChIInChI=1S/C14H17N5O2/c1-16-12(20)6-7-17-14(21)11-8-9-4-2-3-5-10(9)13(18-11)19-15/h2-5,8H,6-7,15H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyXCDDSYGZHXLUBH-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.39
Rot. Bonds5

About 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide

1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide (PubChem CID 62249319) has the molecular formula C14H17N5O2 and a molecular weight of 287.32 g/mol. Its IUPAC name is 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
PubChem CID62249319
Molecular FormulaC14H17N5O2
Molecular Weight287.32 g/mol
Exact Mass287.14
IUPAC Name1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide
SMILESCNC(=O)CCNC(=O)c1cc2ccccc2c(NN)n1
InChIInChI=1S/C14H17N5O2/c1-16-12(20)6-7-17-14(21)11-8-9-4-2-3-5-10(9)13(18-11)19-15/h2-5,8H,6-7,15H2,1H3,(H,16,20)(H,17,21)(H,18,19)
InChIKeyXCDDSYGZHXLUBH-UHFFFAOYSA-N
XLogP0.39
TPSA109.14 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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-[2-(dimethylamino)ethyl]-1-hydrazinylisoquinoline-3-carboxamide
CID 62249892
1-hydrazinyl-N-(2-sulfamoylethyl)isoquinoline-3-carboxamide
CID 62243238
1-hydrazinyl-N-[1-(methylamino)-1-oxopropan-2-yl]isoquinoline-3-carboxamide
CID 62249172
1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
1-hydrazinyl-N-(1,2-oxazol-3-ylmethyl)isoquinoline-3-carboxamide
CID 81178122
N-ethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 55042554
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 115408617
N-(1-cyclopropylethyl)-1-hydrazinylisoquinoline-3-carboxamide
CID 62242128
N-butyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62234848
N-[3-(methylamino)-3-oxopropyl]naphthalene-2-carboxamide
CID 47161001
N-cyclopropyl-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62243552
N-(cyclopropylmethyl)-1-hydrazinyl-N-methylisoquinoline-3-carboxamide
CID 62236420

Frequently Asked Questions

What is the IUPAC name of 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide?
The IUPAC name of 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide (CID 62249319) is 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide.
What is the SMILES notation for 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide?
The canonical SMILES for 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide is CNC(=O)CCNC(=O)c1cc2ccccc2c(NN)n1.
What is the InChIKey of 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide?
The InChIKey is XCDDSYGZHXLUBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O2/c1-16-12(20)6-7-17-14(21)11-8-9-4-2-3-5-10(9)13(18-11)19-15/h2-5,8H,6-7,15H2,1H3,(H,16,20)(H,17,21)(H,18,19).
What are the key properties of 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide?
1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide has a molecular weight of 287.32 g/mol, XLogP of 0.39, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydrazinyl-N-[3-(methylamino)-3-oxopropyl]isoquinoline-3-carboxamide is sourced from PubChem (CID 62249319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).