1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile

C16H21N5O2 — CID 45218294

IUPAC1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)Cn2ncc(N3CCCC3)cc2=O)C1
InChIInChI=1S/C16H21N5O2/c17-9-13-4-3-7-20(11-13)16(23)12-21-15(22)8-14(10-18-21)19-5-1-2-6-19/h8,10,13H,1-7,11-12H2
InChIKeyDSYNULQWDOUWLJ-UHFFFAOYSA-N
MW315.38 g/mol
LogP0.61
Rot. Bonds3

About 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile

1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile (PubChem CID 45218294) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile.

Molecular Properties

Compound Name1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile
PubChem CID45218294
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile
SMILESN#CC1CCCN(C(=O)Cn2ncc(N3CCCC3)cc2=O)C1
InChIInChI=1S/C16H21N5O2/c17-9-13-4-3-7-20(11-13)16(23)12-21-15(22)8-14(10-18-21)19-5-1-2-6-19/h8,10,13H,1-7,11-12H2
InChIKeyDSYNULQWDOUWLJ-UHFFFAOYSA-N
XLogP0.61
TPSA82.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N~2~-methyl-N~1~-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-N~2~-4-piperidinylglycinamide
CID 70750771
N-{[1-(1-methyl-6-oxo-1,6-dihydro-4-pyridazinyl)-3-pyrrolidinyl]methyl}-2-(4-methyl-1-piperidinyl)acetamide
CID 70731402
N-[[1-(1-methyl-6-oxopyridazin-4-yl)piperidin-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 70755704
2-[2-(4-cyclopentyl-3-oxopiperazin-1-yl)-2-oxoethyl]-5-pyrrolidin-1-ylpyridazin-3(2H)-one
CID 72869617
N-methyl-N-[(1-methyl-5-oxopyrrolidin-3-yl)methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1(6H)-yl)acetamide
CID 72902382
N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 96382621
N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-(4-methylpiperidin-1-yl)acetamide
CID 96382622
N-[[(3R)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 96397822
N-[[(3S)-1-(1-methyl-6-oxopyridazin-4-yl)pyrrolidin-3-yl]methyl]-2-[methyl(piperidin-4-yl)amino]acetamide
CID 96397823
N-methyl-N-[[(3R)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
CID 97279780
N-methyl-N-[[(3S)-1-methyl-5-oxopyrrolidin-3-yl]methyl]-2-(6-oxo-4-piperidin-1-ylpyridazin-1-yl)acetamide
CID 97279781
3-[4-(3-Methylpiperidin-1-yl)-6-oxopyridazin-1-yl]propanenitrile
CID 113579537

Frequently Asked Questions

What is the IUPAC name of 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile?
The IUPAC name of 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile (CID 45218294) is 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile.
What is the SMILES notation for 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile?
The canonical SMILES for 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile is N#CC1CCCN(C(=O)Cn2ncc(N3CCCC3)cc2=O)C1.
What is the InChIKey of 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile?
The InChIKey is DSYNULQWDOUWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2/c17-9-13-4-3-7-20(11-13)16(23)12-21-15(22)8-14(10-18-21)19-5-1-2-6-19/h8,10,13H,1-7,11-12H2.
What are the key properties of 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile?
1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile has a molecular weight of 315.38 g/mol, XLogP of 0.61, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(6-oxo-4-pyrrolidin-1-ylpyridazin-1-yl)acetyl]piperidine-3-carbonitrile is sourced from PubChem (CID 45218294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).