6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile

C15H12N4 — CID 93318179

IUPAC6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
SMILESC[C@H](Nc1ccc(C#N)cn1)c1ccc(C#N)cc1
InChIInChI=1S/C15H12N4/c1-11(14-5-2-12(8-16)3-6-14)19-15-7-4-13(9-17)10-18-15/h2-7,10-11H,1H3,(H,18,19)/t11-/m0/s1
InChIKeyVZCLQEWLDGQZDR-NSHDSACASA-N
MW248.29 g/mol
LogP3.00
Rot. Bonds3

About 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile

6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 93318179) has the molecular formula C15H12N4 and a molecular weight of 248.29 g/mol. Its IUPAC name is 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
PubChem CID93318179
Molecular FormulaC15H12N4
Molecular Weight248.29 g/mol
Exact Mass248.11
IUPAC Name6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile
SMILESC[C@H](Nc1ccc(C#N)cn1)c1ccc(C#N)cc1
InChIInChI=1S/C15H12N4/c1-11(14-5-2-12(8-16)3-6-14)19-15-7-4-13(9-17)10-18-15/h2-7,10-11H,1H3,(H,18,19)/t11-/m0/s1
InChIKeyVZCLQEWLDGQZDR-NSHDSACASA-N
XLogP3.00
TPSA72.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-[1-(3-cyanophenyl)ethylamino]pyridine-3-carbonitrile
CID 133333165
4-[1-[(6-bromopyrimidin-4-yl)amino]ethyl]benzonitrile
CID 106192761
6-[1-(4-methyl-3-nitrophenyl)ethylamino]pyridine-3-carbonitrile
CID 122146778
6-[1-(1,3-thiazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 63611566
6-[1-(5-methyl-1,3-oxazol-2-yl)ethylamino]pyridine-3-carbonitrile
CID 103946676
6-(4-methylpentan-2-ylamino)pyridine-3-carbonitrile
CID 43372308
6-[1-(5-chlorothiophen-2-yl)ethylamino]pyridine-3-carbonitrile
CID 55025215
4-[1-(4-cyanoanilino)ethyl]benzonitrile
CID 43195294
6-[[1-(4-bromophenyl)-1-hydroxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 51099692
6-[(4-hydroxy-3-methylbutan-2-yl)amino]pyridine-3-carbonitrile
CID 115643963
2-[(5-cyano-2-pyridinyl)amino]propanamide
CID 43402789
4-[1-[(6-methyl-2-pyridinyl)amino]ethyl]benzonitrile
CID 54936470

Frequently Asked Questions

What is the IUPAC name of 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile (CID 93318179) is 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile is C[C@H](Nc1ccc(C#N)cn1)c1ccc(C#N)cc1.
What is the InChIKey of 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is VZCLQEWLDGQZDR-NSHDSACASA-N. The full InChI is InChI=1S/C15H12N4/c1-11(14-5-2-12(8-16)3-6-14)19-15-7-4-13(9-17)10-18-15/h2-7,10-11H,1H3,(H,18,19)/t11-/m0/s1.
What are the key properties of 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile?
6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 248.29 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1S)-1-(4-cyanophenyl)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 93318179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).