6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile

C16H20N4O — CID 95303369

IUPAC6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1ccc(C#N)cn1
InChIInChI=1S/C16H20N4O/c1-12(21)19-8-2-4-14(19)15-5-3-9-20(15)16-7-6-13(10-17)11-18-16/h6-7,11,14-15H,2-5,8-9H2,1H3/t14-,15+/m1/s1
InChIKeyARRIECYEYQOKCB-CABCVRRESA-N
MW284.36 g/mol
LogP1.93
Rot. Bonds2

About 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile

6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile (PubChem CID 95303369) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
PubChem CID95303369
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC Name6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile
SMILESCC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1ccc(C#N)cn1
InChIInChI=1S/C16H20N4O/c1-12(21)19-8-2-4-14(19)15-5-3-9-20(15)16-7-6-13(10-17)11-18-16/h6-7,11,14-15H,2-5,8-9H2,1H3/t14-,15+/m1/s1
InChIKeyARRIECYEYQOKCB-CABCVRRESA-N
XLogP1.93
TPSA60.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(5-cyano-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 30078852
(2S)-1-(5-cyano-2-pyridinyl)-N-cyclopropylpyrrolidine-2-carboxamide
CID 32877843
6-(2-formylpiperidin-1-yl)pyridine-3-carbonitrile
CID 62662719
6-(4-methylazepan-1-yl)pyridine-3-carbonitrile
CID 62045126
6-[4-(1-acetylpiperidine-4-carbonyl)piperazin-1-yl]pyridine-3-carbonitrile
CID 75461915
6-[4-(3-methylpiperidine-1-carbonyl)piperidin-1-yl]pyridine-3-carbonitrile
CID 17449663
(2S)-2-[1-(5-cyano-2-pyridinyl)piperidin-4-yl]azepane-1-carboxamide
CID 95353407
4-[[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]methyl]-3-fluorobenzonitrile
CID 95343486
ethyl 2-[(2S)-1-(5-cyano-2-pyridinyl)pyrrolidin-2-yl]-1,3-thiazole-4-carboxylate
CID 99795212
6-[4-[1-(cyclopropanecarbonyl)piperidin-4-yl]azepan-1-yl]pyridine-3-carbonitrile
CID 138049082
1-[(2R)-2-[(2S)-1-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)pyrrolidin-2-yl]pyrrolidin-1-yl]ethanone
CID 95345257
1-(5-cyano-2-pyridinyl)-N,N-dimethylpiperidine-3-carboxamide
CID 47085267

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile (CID 95303369) is 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile is CC(=O)N1CCC[C@@H]1[C@@H]1CCCN1c1ccc(C#N)cn1.
What is the InChIKey of 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
The InChIKey is ARRIECYEYQOKCB-CABCVRRESA-N. The full InChI is InChI=1S/C16H20N4O/c1-12(21)19-8-2-4-14(19)15-5-3-9-20(15)16-7-6-13(10-17)11-18-16/h6-7,11,14-15H,2-5,8-9H2,1H3/t14-,15+/m1/s1.
What are the key properties of 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile?
6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile has a molecular weight of 284.36 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-2-[(2R)-1-acetylpyrrolidin-2-yl]pyrrolidin-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 95303369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).