5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile

C14H14N4 — CID 59930341

IUPAC5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)[nH]c1N1CCCC1
InChIInChI=1S/C14H14N4/c15-10-12-9-13(11-3-5-16-6-4-11)17-14(12)18-7-1-2-8-18/h3-6,9,17H,1-2,7-8H2
InChIKeyYDGDMPCZUPQXCO-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.55
Rot. Bonds2

About 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile

5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile (PubChem CID 59930341) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile.

Molecular Properties

Compound Name5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
PubChem CID59930341
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
SMILESN#Cc1cc(-c2ccncc2)[nH]c1N1CCCC1
InChIInChI=1S/C14H14N4/c15-10-12-9-13(11-3-5-16-6-4-11)17-14(12)18-7-1-2-8-18/h3-6,9,17H,1-2,7-8H2
InChIKeyYDGDMPCZUPQXCO-UHFFFAOYSA-N
XLogP2.55
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-fluorophenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930316
5-(4-ethoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930326
2-piperidin-1-yl-5-(4-propan-2-yloxyphenyl)-1H-pyrrole-3-carbonitrile
CID 59930298
5-(3-methoxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930452
5-(3-propan-2-yloxyphenyl)-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930376
5-(3-fluoro-4-methoxyphenyl)-2-piperidin-1-yl-1H-pyrrole-3-carbonitrile
CID 59930255
2-piperazin-1-yl-5-[2-[4-(pyrrolidine-1-carbonyl)phenyl]-4-pyridinyl]-1H-pyrrole-3-carbonitrile
CID 59292183
5-pyridin-4-yl-2-pyrrolidin-1-ylpyridine-3-carbonitrile
CID 14256459
5-[2-[2-(4-fluorophenyl)ethenyl]-4-pyridinyl]-2-(3-hydroxypiperidin-1-yl)-1H-pyrrole-3-carbonitrile
CID 68712994
5-[2-(4-phenylimidazol-1-yl)-4-pyridinyl]-2-piperazin-1-yl-1H-pyrrole-3-carbonitrile
CID 24962641
4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]-N-cyclopentylbenzamide
CID 24960092
(E)-3-[4-[4-(4-cyano-5-piperazin-1-yl-1H-pyrrol-2-yl)-2-pyridinyl]phenyl]prop-2-enoic acid
CID 24958988

Frequently Asked Questions

What is the IUPAC name of 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The IUPAC name of 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile (CID 59930341) is 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile.
What is the SMILES notation for 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The canonical SMILES for 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile is N#Cc1cc(-c2ccncc2)[nH]c1N1CCCC1.
What is the InChIKey of 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
The InChIKey is YDGDMPCZUPQXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c15-10-12-9-13(11-3-5-16-6-4-11)17-14(12)18-7-1-2-8-18/h3-6,9,17H,1-2,7-8H2.
What are the key properties of 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile?
5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile has a molecular weight of 238.29 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyridin-4-yl-2-pyrrolidin-1-yl-1H-pyrrole-3-carbonitrile is sourced from PubChem (CID 59930341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).