2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile

C14H12ClN3 — CID 93417245

IUPAC2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H](Nc1ncccc1C#N)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3/c1-10(11-4-2-6-13(15)8-11)18-14-12(9-16)5-3-7-17-14/h2-8,10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyMEPANWSERFWQRE-SNVBAGLBSA-N
MW257.72 g/mol
LogP3.78
Rot. Bonds3

About 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile

2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile (PubChem CID 93417245) has the molecular formula C14H12ClN3 and a molecular weight of 257.72 g/mol. Its IUPAC name is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
PubChem CID93417245
Molecular FormulaC14H12ClN3
Molecular Weight257.72 g/mol
Exact Mass257.07
IUPAC Name2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
SMILESC[C@@H](Nc1ncccc1C#N)c1cccc(Cl)c1
InChIInChI=1S/C14H12ClN3/c1-10(11-4-2-6-13(15)8-11)18-14-12(9-16)5-3-7-17-14/h2-8,10H,1H3,(H,17,18)/t10-/m1/s1
InChIKeyMEPANWSERFWQRE-SNVBAGLBSA-N
XLogP3.78
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.72
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-4-carbonitrile
CID 107057219
2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 60655016
2-[1-[4-(trifluoromethyl)phenyl]ethylamino]pyridine-3-carbonitrile
CID 42893054
2-[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 32572910
N-[1-(3-chlorophenyl)ethyl]pyrazolo[1,5-a]pyrazin-4-amine
CID 104730907
3-[1-(3-chlorophenyl)ethylamino]-5,6-dimethylpyridazine-4-carbonitrile
CID 47151232
2-[1-(2-bromophenyl)ethylamino]pyridine-3-carbonitrile
CID 42927800
2-[[1-(4-chlorophenyl)-1-methoxypropan-2-yl]amino]pyridine-3-carbonitrile
CID 133311512
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
2-(3-propan-2-ylanilino)pyridine-3-carbonitrile
CID 18194910
2-[[(1S)-1-(2,5-dimethylfuran-3-yl)ethyl]amino]pyridine-3-carbonitrile
CID 94006979

Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile (CID 93417245) is 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile is C[C@@H](Nc1ncccc1C#N)c1cccc(Cl)c1.
What is the InChIKey of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is MEPANWSERFWQRE-SNVBAGLBSA-N. The full InChI is InChI=1S/C14H12ClN3/c1-10(11-4-2-6-13(15)8-11)18-14-12(9-16)5-3-7-17-14/h2-8,10H,1H3,(H,17,18)/t10-/m1/s1.
What are the key properties of 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile?
2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 257.72 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-(3-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 93417245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).