2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

C16H20N6O — CID 95142455

IUPAC2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCCc1nnc(CN2CC[C@H](CNc3ncccc3C#N)C2)o1
InChIInChI=1S/C16H20N6O/c1-2-14-20-21-15(23-14)11-22-7-5-12(10-22)9-19-16-13(8-17)4-3-6-18-16/h3-4,6,12H,2,5,7,9-11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeySBQXHKMMCQCQCZ-GFCCVEGCSA-N
MW312.38 g/mol
LogP1.83
Rot. Bonds6

About 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile

2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (PubChem CID 95142455) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
PubChem CID95142455
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
SMILESCCc1nnc(CN2CC[C@H](CNc3ncccc3C#N)C2)o1
InChIInChI=1S/C16H20N6O/c1-2-14-20-21-15(23-14)11-22-7-5-12(10-22)9-19-16-13(8-17)4-3-6-18-16/h3-4,6,12H,2,5,7,9-11H2,1H3,(H,18,19)/t12-/m1/s1
InChIKeySBQXHKMMCQCQCZ-GFCCVEGCSA-N
XLogP1.83
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[[(3S)-1-[(1-methylimidazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145917
2-[[(3S)-1-[(5-methylpyrazin-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95146122
6-[[(3S)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95145221
3-[(1-ethylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80510426
2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 49227412
2-[[(3S)-1-[(2-oxo-3H-1-benzofuran-6-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95143506
N-benzyl-2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]acetamide
CID 95144802
2-[(3S)-3-[[(3-cyano-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 95145608
[1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methanamine
CID 62062546
2-(thian-4-ylmethylamino)pyridine-3-carbonitrile
CID 115625296
3-[(1-cyclopropylpyrrolidin-3-yl)methylamino]pyridazine-4-carbonitrile
CID 80515476
6-[[(3S)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile
CID 95141983

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile (CID 95142455) is 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is CCc1nnc(CN2CC[C@H](CNc3ncccc3C#N)C2)o1.
What is the InChIKey of 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
The InChIKey is SBQXHKMMCQCQCZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20N6O/c1-2-14-20-21-15(23-14)11-22-7-5-12(10-22)9-19-16-13(8-17)4-3-6-18-16/h3-4,6,12H,2,5,7,9-11H2,1H3,(H,18,19)/t12-/m1/s1.
What are the key properties of 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile?
2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile has a molecular weight of 312.38 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-1-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidin-3-yl]methylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 95142455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).