6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide

C16H24N4O2 — CID 110271511

IUPAC6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(=O)N1CCCC(Cc2ccc(C(=O)NC(C)C)nn2)C1
InChIInChI=1S/C16H24N4O2/c1-11(2)17-16(22)15-7-6-14(18-19-15)9-13-5-4-8-20(10-13)12(3)21/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,22)
InChIKeyIQFHYELRKIXVDF-UHFFFAOYSA-N
MW304.39 g/mol
LogP1.42
Rot. Bonds4

About 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide

6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide (PubChem CID 110271511) has the molecular formula C16H24N4O2 and a molecular weight of 304.39 g/mol. Its IUPAC name is 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
PubChem CID110271511
Molecular FormulaC16H24N4O2
Molecular Weight304.39 g/mol
Exact Mass304.19
IUPAC Name6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide
SMILESCC(=O)N1CCCC(Cc2ccc(C(=O)NC(C)C)nn2)C1
InChIInChI=1S/C16H24N4O2/c1-11(2)17-16(22)15-7-6-14(18-19-15)9-13-5-4-8-20(10-13)12(3)21/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,22)
InChIKeyIQFHYELRKIXVDF-UHFFFAOYSA-N
XLogP1.42
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 51.42
H-Bond Donors ≤ 51
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-cyclopentylpyridazine-3-carboxamide
CID 110271581
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
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
4-[[(3S)-1-acetylpiperidin-3-yl]methoxy]-N-propan-2-ylbenzamide
CID 95097994
1-[3-(pyridin-2-ylmethyl)piperidin-1-yl]ethanone
CID 110254207
1-[3-[[6-(dimethylamino)pyridazin-3-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110269226
1-[(3R)-3-[[5-(propan-2-ylamino)-3-pyridinyl]methyl]piperidin-1-yl]ethanone
CID 95846503
1-[(3S)-3-[(6-chloropyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95804488

Frequently Asked Questions

What is the IUPAC name of 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide?
The IUPAC name of 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide (CID 110271511) is 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide.
What is the SMILES notation for 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide?
The canonical SMILES for 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide is CC(=O)N1CCCC(Cc2ccc(C(=O)NC(C)C)nn2)C1.
What is the InChIKey of 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide?
The InChIKey is IQFHYELRKIXVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O2/c1-11(2)17-16(22)15-7-6-14(18-19-15)9-13-5-4-8-20(10-13)12(3)21/h6-7,11,13H,4-5,8-10H2,1-3H3,(H,17,22).
What are the key properties of 6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide?
6-[(1-acetylpiperidin-3-yl)methyl]-N-propan-2-ylpyridazine-3-carboxamide has a molecular weight of 304.39 g/mol, XLogP of 1.42, 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-propan-2-ylpyridazine-3-carboxamide is sourced from PubChem (CID 110271511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).