6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

C16H19N5O — CID 109112480

IUPAC6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C16H19N5O/c22-16(18-12-13-6-8-17-9-7-13)14-4-5-15(20-19-14)21-10-2-1-3-11-21/h4-9H,1-3,10-12H2,(H,18,22)
InChIKeyAVRWYSDJQYMJFZ-UHFFFAOYSA-N
MW297.36 g/mol
LogP1.79
Rot. Bonds4

About 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide

6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (PubChem CID 109112480) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
PubChem CID109112480
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC Name6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
SMILESO=C(NCc1ccncc1)c1ccc(N2CCCCC2)nn1
InChIInChI=1S/C16H19N5O/c22-16(18-12-13-6-8-17-9-7-13)14-4-5-15(20-19-14)21-10-2-1-3-11-21/h4-9H,1-3,10-12H2,(H,18,22)
InChIKeyAVRWYSDJQYMJFZ-UHFFFAOYSA-N
XLogP1.79
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-[4-(2-fluorophenyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121392
5-(azepan-1-yl)-N-(pyridin-4-ylmethyl)pyrazine-2-carboxamide
CID 109283539
6-[4-(furan-2-carbonyl)piperazin-1-yl]-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121393
6-(azepan-1-yl)-N-(pyridin-2-ylmethyl)pyridazine-3-carboxamide
CID 109120839
6-(azepan-1-yl)-N-[(3,4-dimethoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109123466
N-(1,3-benzodioxol-5-ylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 71778537
N-[(3,4-dimethoxyphenyl)methyl]-6-pyrrolidin-1-ylpyridazine-3-carboxamide
CID 109111768
6-(3,4-dihydro-2H-quinolin-1-yl)-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide
CID 109121417
N-(cyclobutylmethyl)-6-piperidin-1-ylpyridazine-3-carboxamide
CID 141463742
6-(4-acetylpiperazin-1-yl)-N-benzylpyridazine-3-carboxamide
CID 109117077
N-(2-aminoethyl)-6-pyrrolidin-1-ylpyridazine-3-carboxamide;dihydrochloride
CID 119385085
N-[(2-phenyl-1,3-thiazol-4-yl)methyl]-6-piperidin-1-ylpyridazine-3-carboxamide
CID 121028016

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide (CID 109112480) is 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is O=C(NCc1ccncc1)c1ccc(N2CCCCC2)nn1.
What is the InChIKey of 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
The InChIKey is AVRWYSDJQYMJFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c22-16(18-12-13-6-8-17-9-7-13)14-4-5-15(20-19-14)21-10-2-1-3-11-21/h4-9H,1-3,10-12H2,(H,18,22).
What are the key properties of 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide?
6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide has a molecular weight of 297.36 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-1-yl-N-(pyridin-4-ylmethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 109112480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).