5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile

C17H18N4 — CID 124863257

IUPAC5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESCN1CC[C@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N4/c1-21-10-9-16(17(21)13-5-3-2-4-6-13)20-15-8-7-14(11-18)19-12-15/h2-8,12,16-17,20H,9-10H2,1H3/t16-,17-/m0/s1
InChIKeyRFFAENLKMKGDHP-IRXDYDNUSA-N
MW278.36 g/mol
LogP2.81
Rot. Bonds3

About 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile

5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile (PubChem CID 124863257) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile
PubChem CID124863257
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile
SMILESCN1CC[C@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccccc1
InChIInChI=1S/C17H18N4/c1-21-10-9-16(17(21)13-5-3-2-4-6-13)20-15-8-7-14(11-18)19-12-15/h2-8,12,16-17,20H,9-10H2,1H3/t16-,17-/m0/s1
InChIKeyRFFAENLKMKGDHP-IRXDYDNUSA-N
XLogP2.81
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(1-azabicyclo[2.2.2]octan-3-ylamino)pyridine-2-carbonitrile
CID 115487454
N-[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]pyrazin-2-amine
CID 100692874
5-[[(1R,2S,4R)-7-oxabicyclo[2.2.1]heptan-2-yl]amino]pyridine-2-carbonitrile
CID 124779116
5-[(1-ethylpiperidin-4-yl)amino]pyridine-2-carbonitrile
CID 79840147
5-[(2-aminocycloheptyl)amino]pyridine-2-carbonitrile
CID 113321442
6-chloro-2-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]pyrimidin-4-amine
CID 97073918
5-[[(3S)-1-(1-methylpyrazol-4-yl)piperidin-3-yl]amino]pyridine-2-carbonitrile
CID 99848388
6-methyl-N-[(2R,3R)-1-methyl-2-phenylpyrrolidin-3-yl]imidazo[2,1-b][1,3,4]thiadiazol-2-amine
CID 97073350
5-(piperidin-3-ylamino)pyridine-2-carbonitrile
CID 115490388
6-ethyl-2-methyl-N-(1-methyl-2-phenylpyrrolidin-3-yl)pyrimidin-4-amine
CID 133462105
5-[2-(4-methylpiperidin-1-yl)ethylamino]pyridine-2-carbonitrile
CID 79840155
N-(1-methyl-2-phenylpyrrolidin-3-yl)-[1,2,4]triazolo[4,3-b]pyridazin-6-amine
CID 136545963

Frequently Asked Questions

What is the IUPAC name of 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The IUPAC name of 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile (CID 124863257) is 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The canonical SMILES for 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile is CN1CC[C@H](Nc2ccc(C#N)nc2)[C@@H]1c1ccccc1.
What is the InChIKey of 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
The InChIKey is RFFAENLKMKGDHP-IRXDYDNUSA-N. The full InChI is InChI=1S/C17H18N4/c1-21-10-9-16(17(21)13-5-3-2-4-6-13)20-15-8-7-14(11-18)19-12-15/h2-8,12,16-17,20H,9-10H2,1H3/t16-,17-/m0/s1.
What are the key properties of 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile?
5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 2.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(2S,3S)-1-methyl-2-phenylpyrrolidin-3-yl]amino]pyridine-2-carbonitrile is sourced from PubChem (CID 124863257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).