6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide

C16H20N6O2 — CID 121114381

IUPAC6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)NCCCN2CCCC2=O)nn1
InChIInChI=1S/C16H20N6O2/c1-12-17-8-11-22(12)14-6-5-13(19-20-14)16(24)18-7-3-10-21-9-2-4-15(21)23/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,18,24)
InChIKeyIQAPJIFUUCWTOJ-UHFFFAOYSA-N
MW328.38 g/mol
LogP0.71
Rot. Bonds6

About 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide

6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide (PubChem CID 121114381) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
PubChem CID121114381
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC Name6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
SMILESCc1nccn1-c1ccc(C(=O)NCCCN2CCCC2=O)nn1
InChIInChI=1S/C16H20N6O2/c1-12-17-8-11-22(12)14-6-5-13(19-20-14)16(24)18-7-3-10-21-9-2-4-15(21)23/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,18,24)
InChIKeyIQAPJIFUUCWTOJ-UHFFFAOYSA-N
XLogP0.71
TPSA93.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-imidazol-1-yl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide
CID 121114123
N-[2-(diethylamino)ethyl]-6-(2-methylimidazol-1-yl)pyridazine-3-carboxamide
CID 121114224
2-methyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 72894736
2-[3-(2-oxoazepan-1-yl)propylcarbamoyl]pyridine-4-carboxylic acid
CID 122055052
N-[3-(2-oxopyrrolidin-1-yl)propyl]-1,3-thiazole-4-carboxamide
CID 63048000
N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-(4-pyridin-2-ylpiperazin-1-yl)pyridine-2-carboxamide
CID 117080691
6-chloro-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-2-carboxamide
CID 62233313
1-[[2-(2-methylimidazol-1-yl)-3-pyridinyl]methyl]-3-[2-(2-oxopyrrolidin-1-yl)ethyl]urea
CID 138003231
1,3-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyrazole-4-carboxamide;hydrochloride
CID 45284452
4-methylsulfinyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 86983246
N-[3-(2-oxopyrrolidin-1-yl)propyl]-2-[3-(2-oxopyrrolidin-1-yl)propylamino]pyridine-4-carboxamide
CID 117094373
2-ethoxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridine-3-carboxamide
CID 39888643

Frequently Asked Questions

What is the IUPAC name of 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The IUPAC name of 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide (CID 121114381) is 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide.
What is the SMILES notation for 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The canonical SMILES for 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide is Cc1nccn1-c1ccc(C(=O)NCCCN2CCCC2=O)nn1.
What is the InChIKey of 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
The InChIKey is IQAPJIFUUCWTOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-12-17-8-11-22(12)14-6-5-13(19-20-14)16(24)18-7-3-10-21-9-2-4-15(21)23/h5-6,8,11H,2-4,7,9-10H2,1H3,(H,18,24).
What are the key properties of 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide?
6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 0.71, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methylimidazol-1-yl)-N-[3-(2-oxopyrrolidin-1-yl)propyl]pyridazine-3-carboxamide is sourced from PubChem (CID 121114381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).