6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide

C18H26N4O2 — CID 110271581

IUPAC6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
SMILESCC(=O)N1CCCC(Cc2ccc(C(=O)NC3CCCC3)nn2)C1
InChIInChI=1S/C18H26N4O2/c1-13(23)22-10-4-5-14(12-22)11-16-8-9-17(21-20-16)18(24)19-15-6-2-3-7-15/h8-9,14-15H,2-7,10-12H2,1H3,(H,19,24)
InChIKeyYMFYQHWHJCEHMG-UHFFFAOYSA-N
MW330.43 g/mol
LogP1.95
Rot. Bonds4

About 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide

6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide (PubChem CID 110271581) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
PubChem CID110271581
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
SMILESCC(=O)N1CCCC(Cc2ccc(C(=O)NC3CCCC3)nn2)C1
InChIInChI=1S/C18H26N4O2/c1-13(23)22-10-4-5-14(12-22)11-16-8-9-17(21-20-16)18(24)19-15-6-2-3-7-15/h8-9,14-15H,2-7,10-12H2,1H3,(H,19,24)
InChIKeyYMFYQHWHJCEHMG-UHFFFAOYSA-N
XLogP1.95
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
CID 110271511
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazine-3-carboxylic acid
CID 95804599
6-[(1-acetylpiperidin-3-yl)methyl]pyridazine-3-carboxylic acid
CID 110246143
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
CID 95841001
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
3-[(1-acetylpiperidin-3-yl)methyl]-N-cyclohexylpyrazine-2-carboxamide
CID 110271533
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[3-[(6-imidazol-1-ylpyridazin-3-yl)methyl]piperidin-1-yl]ethanone
CID 110255801
1-[4-[(6-chloropyridazin-3-yl)methyl]azepan-1-yl]ethanone
CID 66510068
3-[(1-acetylpiperidin-3-yl)methyl]-N-(oxan-4-yl)pyrazine-2-carboxamide
CID 110257660
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110269226
4-(4-acetylpiperazin-1-yl)-N-cyclohexylpyridine-2-carboxamide
CID 109204747

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide?
The IUPAC name of 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide (CID 110271581) is 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide is CC(=O)N1CCCC(Cc2ccc(C(=O)NC3CCCC3)nn2)C1.
What is the InChIKey of 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide?
The InChIKey is YMFYQHWHJCEHMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13(23)22-10-4-5-14(12-22)11-16-8-9-17(21-20-16)18(24)19-15-6-2-3-7-15/h8-9,14-15H,2-7,10-12H2,1H3,(H,19,24).
What are the key properties of 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide?
6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.95, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide is sourced from PubChem (CID 110271581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).