2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile

C16H16N4 — CID 133292361

IUPAC2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCN(c2ccccc2)C1
InChIInChI=1S/C16H16N4/c17-11-13-5-4-9-18-16(13)19-14-8-10-20(12-14)15-6-2-1-3-7-15/h1-7,9,14H,8,10,12H2,(H,18,19)
InChIKeyZLDJOGKPWKYWJU-UHFFFAOYSA-N
MW264.33 g/mol
LogP2.64
Rot. Bonds3

About 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile

2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile (PubChem CID 133292361) has the molecular formula C16H16N4 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
PubChem CID133292361
Molecular FormulaC16H16N4
Molecular Weight264.33 g/mol
Exact Mass264.14
IUPAC Name2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC1CCN(c2ccccc2)C1
InChIInChI=1S/C16H16N4/c17-11-13-5-4-9-18-16(13)19-14-8-10-20(12-14)15-6-2-1-3-7-15/h1-7,9,14H,8,10,12H2,(H,18,19)
InChIKeyZLDJOGKPWKYWJU-UHFFFAOYSA-N
XLogP2.64
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[1-(1,3-benzothiazol-2-yl)piperidin-3-yl]amino]pyridine-3-carbonitrile
CID 70733932
2-[[4-(methylamino)cyclohexyl]amino]pyridine-3-carbonitrile
CID 79110256
2-[[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 133336053
3-[(3-cyano-2-pyridinyl)amino]cyclopentane-1-carboxylic acid
CID 66030778
propan-2-yl 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carboxylate
CID 133470577
tert-butyl (3S)-3-[(3-cyano-2-pyridinyl)amino]pyrrolidine-1-carboxylate
CID 71629238
2-[(1-oxothian-4-yl)amino]pyridine-3-carbonitrile
CID 115886619
2-[[1-[(2S)-2-phenylbutanoyl]piperidin-4-yl]amino]pyridine-3-carbonitrile
CID 94813354
2-[[(6R)-2-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]pyridine-3-carbonitrile
CID 95343247
ethyl 4-[(3-cyano-2-pyridinyl)amino]piperidine-1-carboxylate
CID 24710040
2-[(3,3-dimethylcyclopentyl)amino]pyridine-3-carbonitrile
CID 115880942
2-[[1-(4-methylphenyl)sulfonylpiperidin-4-yl]amino]pyridine-3-carbonitrile
CID 17451201

Frequently Asked Questions

What is the IUPAC name of 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile (CID 133292361) is 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile is N#Cc1cccnc1NC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
The InChIKey is ZLDJOGKPWKYWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4/c17-11-13-5-4-9-18-16(13)19-14-8-10-20(12-14)15-6-2-1-3-7-15/h1-7,9,14H,8,10,12H2,(H,18,19).
What are the key properties of 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile?
2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile has a molecular weight of 264.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-phenylpyrrolidin-3-yl)amino]pyridine-3-carbonitrile is sourced from PubChem (CID 133292361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).