1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide

C14H16N6O2 — CID 121113995

IUPAC1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C14H16N6O2/c15-13(21)10-3-6-19(7-4-10)14(22)11-1-2-12(18-17-11)20-8-5-16-9-20/h1-2,5,8-10H,3-4,6-7H2,(H2,15,21)
InChIKeyJLLNIYUZODPYSL-UHFFFAOYSA-N
MW300.32 g/mol
LogP-0.00
Rot. Bonds3

About 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide

1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide (PubChem CID 121113995) has the molecular formula C14H16N6O2 and a molecular weight of 300.32 g/mol. Its IUPAC name is 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide
PubChem CID121113995
Molecular FormulaC14H16N6O2
Molecular Weight300.32 g/mol
Exact Mass300.13
IUPAC Name1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide
SMILESNC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)nn2)CC1
InChIInChI=1S/C14H16N6O2/c15-13(21)10-3-6-19(7-4-10)14(22)11-1-2-12(18-17-11)20-8-5-16-9-20/h1-2,5,8-10H,3-4,6-7H2,(H2,15,21)
InChIKeyJLLNIYUZODPYSL-UHFFFAOYSA-N
XLogP-0.00
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 5-0.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(6-imidazol-1-ylpyridazin-3-yl)-[2-(trifluoromethyl)azetidin-1-yl]methanone
CID 138035562
1-(4-imidazol-1-yl-3-pyrrol-1-ylbenzoyl)piperidine-4-carboxamide
CID 92576980
1-(4-imidazol-1-ylbenzoyl)pyrrolidine-3-carboxamide
CID 69161890
[(4R,4aR,8aS)-4-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(6-imidazol-1-ylpyridazin-3-yl)methanone
CID 95140466
(6-fluoro-6-methyl-1,4-diazepan-1-yl)-(6-imidazol-1-ylpyridazin-3-yl)methanone
CID 138001605
(4-hydroxypiperidin-1-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 43417527
N-(cyclobutylmethyl)-6-imidazol-1-ylpyridazine-3-carboxamide
CID 51107519
[4-(6-imidazol-1-ylpyridazin-3-yl)piperazin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 90539491
[(3R)-3-imidazol-1-ylpiperidin-1-yl]-(6-pyrrolidin-1-ylpyridazin-3-yl)methanone
CID 95314596
ethyl 1-(6-pyrazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxylate
CID 71791790
(3R)-1-N-[(2-imidazol-1-ylphenyl)methyl]pyrrolidine-1,3-dicarboxamide
CID 94658479
[(4R)-4-hydroxyazepan-1-yl]-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 129353584

Frequently Asked Questions

What is the IUPAC name of 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide (CID 121113995) is 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide is NC(=O)C1CCN(C(=O)c2ccc(-n3ccnc3)nn2)CC1.
What is the InChIKey of 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide?
The InChIKey is JLLNIYUZODPYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N6O2/c15-13(21)10-3-6-19(7-4-10)14(22)11-1-2-12(18-17-11)20-8-5-16-9-20/h1-2,5,8-10H,3-4,6-7H2,(H2,15,21).
What are the key properties of 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide?
1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide has a molecular weight of 300.32 g/mol, XLogP of -0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-imidazol-1-ylpyridazine-3-carbonyl)piperidine-4-carboxamide is sourced from PubChem (CID 121113995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).