3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile

C14H17ClN4 — CID 107061252

IUPAC3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC2C2CCCN2)c1Cl
InChIInChI=1S/C14H17ClN4/c15-13-10(9-16)5-7-18-14(13)19-8-2-4-12(19)11-3-1-6-17-11/h5,7,11-12,17H,1-4,6,8H2
InChIKeyVGKKJWHGEARFNC-UHFFFAOYSA-N
MW276.77 g/mol
LogP2.33
Rot. Bonds2

About 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile

3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile (PubChem CID 107061252) has the molecular formula C14H17ClN4 and a molecular weight of 276.77 g/mol. Its IUPAC name is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile.

Molecular Properties

Compound Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
PubChem CID107061252
Molecular FormulaC14H17ClN4
Molecular Weight276.77 g/mol
Exact Mass276.11
IUPAC Name3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile
SMILESN#Cc1ccnc(N2CCCC2C2CCCN2)c1Cl
InChIInChI=1S/C14H17ClN4/c15-13-10(9-16)5-7-18-14(13)19-8-2-4-12(19)11-3-1-6-17-11/h5,7,11-12,17H,1-4,6,8H2
InChIKeyVGKKJWHGEARFNC-UHFFFAOYSA-N
XLogP2.33
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.77
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 55053823
2-[2-(aminomethyl)pyrrolidin-1-yl]-3-chloropyridine-4-carbonitrile
CID 107061376
2-(2-pyrrolidin-2-ylpiperidin-1-yl)pyrimidine-4-carbonitrile
CID 107552499
1-(3-chloro-4-cyano-2-pyridinyl)-N-methylpyrrolidine-2-carboxamide
CID 107057278
3-methoxy-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 113371067
5-bromo-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 114893925
2-methyl-4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 81279502
4-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine
CID 62274954
4-(3,4,4a,5,6,7,8,8a-octahydro-2H-1,5-naphthyridin-1-yl)-5-chloro-2-(2-fluoro-4-pyridinyl)-1H-pyrimidin-6-one
CID 142309309
2-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-3-aminopyridine-4-carbonitrile
CID 82813269
3-chloro-2-(4-cyclopentylpiperazin-1-yl)pyridine-4-carbonitrile
CID 107057553
2-nitro-3-(2-pyrrolidin-2-ylpyrrolidin-1-yl)benzonitrile
CID 104719959

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The IUPAC name of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile (CID 107061252) is 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile.
What is the SMILES notation for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The canonical SMILES for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile is N#Cc1ccnc(N2CCCC2C2CCCN2)c1Cl.
What is the InChIKey of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile?
The InChIKey is VGKKJWHGEARFNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN4/c15-13-10(9-16)5-7-18-14(13)19-8-2-4-12(19)11-3-1-6-17-11/h5,7,11-12,17H,1-4,6,8H2.
What are the key properties of 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile?
3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile has a molecular weight of 276.77 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(2-pyrrolidin-2-ylpyrrolidin-1-yl)pyridine-4-carbonitrile is sourced from PubChem (CID 107061252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).