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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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).