1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

C16H18N6O2 — CID 56885089

IUPAC1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESO=C(NCc1ccccn1)C1CNCCN1C(=O)c1cccnn1
InChIInChI=1S/C16H18N6O2/c23-15(19-10-12-4-1-2-6-18-12)14-11-17-8-9-22(14)16(24)13-5-3-7-20-21-13/h1-7,14,17H,8-11H2,(H,19,23)
InChIKeyFIBRAJHIYZLLJN-UHFFFAOYSA-N
MW326.36 g/mol
LogP-0.40
Rot. Bonds4

About 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide

1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (PubChem CID 56885089) has the molecular formula C16H18N6O2 and a molecular weight of 326.36 g/mol. Its IUPAC name is 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.

Molecular Properties

Compound Name1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
PubChem CID56885089
Molecular FormulaC16H18N6O2
Molecular Weight326.36 g/mol
Exact Mass326.15
IUPAC Name1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
SMILESO=C(NCc1ccccn1)C1CNCCN1C(=O)c1cccnn1
InChIInChI=1S/C16H18N6O2/c23-15(19-10-12-4-1-2-6-18-12)14-11-17-8-9-22(14)16(24)13-5-3-7-20-21-13/h1-7,14,17H,8-11H2,(H,19,23)
InChIKeyFIBRAJHIYZLLJN-UHFFFAOYSA-N
XLogP-0.40
TPSA100.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.36
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-(2-ethoxybenzoyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 95717707
1-(2-methoxypyridine-4-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide
CID 56884685
(2R)-N-(pyridin-2-ylmethyl)-1-[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]piperazine-2-carboxamide
CID 95717599
1-N-(4-methylphenyl)-4-(pyridine-2-carbonyl)-3-N-(pyridin-2-ylmethyl)piperazine-1,3-dicarboxamide
CID 134085273
N-(pyridazin-3-ylmethyl)azetidine-3-carboxamide
CID 106896192
N-(pyridin-2-ylmethyl)piperidine-4-carboxamide;hydrochloride
CID 56832240
(3R)-N-(pyridazin-3-ylmethyl)piperidine-3-carboxamide
CID 106896121
N-ethyl-1-[2-(3-methyl-2-pyridinyl)acetyl]piperazine-2-carboxamide
CID 107148474
(2S)-N-(pyridin-2-ylmethyl)-1-[(2S)-pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;hydrochloride
CID 53300637
[2-(3-fluorophenyl)piperazin-1-yl]-pyridin-2-ylmethanone
CID 120737504
N-(pyridin-2-ylmethyl)-3-pyrrolidin-3-ylpiperidine-1-carboxamide
CID 128771647
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255

Frequently Asked Questions

What is the IUPAC name of 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The IUPAC name of 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide (CID 56885089) is 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide.
What is the SMILES notation for 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The canonical SMILES for 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is O=C(NCc1ccccn1)C1CNCCN1C(=O)c1cccnn1.
What is the InChIKey of 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
The InChIKey is FIBRAJHIYZLLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O2/c23-15(19-10-12-4-1-2-6-18-12)14-11-17-8-9-22(14)16(24)13-5-3-7-20-21-13/h1-7,14,17H,8-11H2,(H,19,23).
What are the key properties of 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide?
1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide has a molecular weight of 326.36 g/mol, XLogP of -0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(pyridazine-3-carbonyl)-N-(pyridin-2-ylmethyl)piperazine-2-carboxamide is sourced from PubChem (CID 56885089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).