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

C18H19ClN4 — CID 51969093

IUPAC2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@@H](c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C18H19ClN4/c19-16-8-2-1-7-15(16)17(23-10-3-4-11-23)13-22-18-14(12-20)6-5-9-21-18/h1-2,5-9,17H,3-4,10-11,13H2,(H,21,22)/t17-/m0/s1
InChIKeySBNWHMBHFYXSDE-KRWDZBQOSA-N
MW326.83 g/mol
LogP3.86
Rot. Bonds5

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

2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile (PubChem CID 51969093) has the molecular formula C18H19ClN4 and a molecular weight of 326.83 g/mol. Its IUPAC name is 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
PubChem CID51969093
Molecular FormulaC18H19ClN4
Molecular Weight326.83 g/mol
Exact Mass326.13
IUPAC Name2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NC[C@@H](c1ccccc1Cl)N1CCCC1
InChIInChI=1S/C18H19ClN4/c19-16-8-2-1-7-15(16)17(23-10-3-4-11-23)13-22-18-14(12-20)6-5-9-21-18/h1-2,5-9,17H,3-4,10-11,13H2,(H,21,22)/t17-/m0/s1
InChIKeySBNWHMBHFYXSDE-KRWDZBQOSA-N
XLogP3.86
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.83
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(1R)-1-(2-chlorophenyl)ethyl]amino]pyridine-3-carbonitrile
CID 31585319
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-cyanobenzamide
CID 9302511
2-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylamino]pyridine-3-carbonitrile
CID 16567838
3-chloro-2-(2-pyrrolidin-1-ylpropylamino)pyridine-4-carbonitrile
CID 107058127
2-[2-(methylamino)propylamino]pyridine-3-carbonitrile
CID 126976361
2-[[(2R)-3-(3,4-dihydro-1H-isoquinolin-2-yl)-2-hydroxypropyl]amino]pyridine-3-carbonitrile
CID 94102559
2-[(4,5-dichloro-1-methylpyrrol-2-yl)methylamino]pyridine-3-carbonitrile
CID 133380381
N-[(2S)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928967
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 51928969
2-chloro-N-[2-[(3-cyano-2-pyridinyl)amino]ethyl]benzamide
CID 46443949
2-[[2-(2-methoxyphenyl)-2-piperidin-1-ylethyl]amino]-N-methylpyridine-3-carboxamide
CID 133319504
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-nitrobenzamide
CID 26795079

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile (CID 51969093) is 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile is N#Cc1cccnc1NC[C@@H](c1ccccc1Cl)N1CCCC1.
What is the InChIKey of 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile?
The InChIKey is SBNWHMBHFYXSDE-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H19ClN4/c19-16-8-2-1-7-15(16)17(23-10-3-4-11-23)13-22-18-14(12-20)6-5-9-21-18/h1-2,5-9,17H,3-4,10-11,13H2,(H,21,22)/t17-/m0/s1.
What are the key properties of 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile?
2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile has a molecular weight of 326.83 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 51969093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).