6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide

C15H22N4O2 — CID 95841001

IUPAC6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](Cc2ccc(C(=O)N(C)C)nn2)C1
InChIInChI=1S/C15H22N4O2/c1-11(20)19-8-4-5-12(10-19)9-13-6-7-14(17-16-13)15(21)18(2)3/h6-7,12H,4-5,8-10H2,1-3H3/t12-/m0/s1
InChIKeyYTKJGSCNYAABFT-LBPRGKRZSA-N
MW290.37 g/mol
LogP0.98
Rot. Bonds3

About 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide

6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide (PubChem CID 95841001) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
PubChem CID95841001
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide
SMILESCC(=O)N1CCC[C@@H](Cc2ccc(C(=O)N(C)C)nn2)C1
InChIInChI=1S/C15H22N4O2/c1-11(20)19-8-4-5-12(10-19)9-13-6-7-14(17-16-13)15(21)18(2)3/h6-7,12H,4-5,8-10H2,1-3H3/t12-/m0/s1
InChIKeyYTKJGSCNYAABFT-LBPRGKRZSA-N
XLogP0.98
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
CID 110271511
6-[(1-acetylpiperidin-3-yl)methyl]-N-cyclopentylpyridazine-3-carboxamide
CID 110271581
1-[4-[6-[[(3S)-1-acetylpiperidin-3-yl]methyl]pyridazin-3-yl]piperazin-1-yl]ethanone
CID 95846960
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110269226
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
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N-dimethylpyrimidine-4-carboxamide
CID 110095121
6-[[(3R)-1-benzoylpiperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 124986814
6-[[1-(cyclobutanecarbonyl)piperidin-3-yl]methyl]-N,N,2-trimethylpyrimidine-4-carboxamide
CID 110110458

Frequently Asked Questions

What is the IUPAC name of 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide?
The IUPAC name of 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide (CID 95841001) is 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide?
The canonical SMILES for 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide is CC(=O)N1CCC[C@@H](Cc2ccc(C(=O)N(C)C)nn2)C1.
What is the InChIKey of 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide?
The InChIKey is YTKJGSCNYAABFT-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-11(20)19-8-4-5-12(10-19)9-13-6-7-14(17-16-13)15(21)18(2)3/h6-7,12H,4-5,8-10H2,1-3H3/t12-/m0/s1.
What are the key properties of 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide?
6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide has a molecular weight of 290.37 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3S)-1-acetylpiperidin-3-yl]methyl]-N,N-dimethylpyridazine-3-carboxamide is sourced from PubChem (CID 95841001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).