3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile

C14H15N5 — CID 166371430

IUPAC3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile
SMILESCc1ccnc(C#N)c1N1CCC(n2ccnc2)C1
InChIInChI=1S/C14H15N5/c1-11-2-4-17-13(8-15)14(11)18-6-3-12(9-18)19-7-5-16-10-19/h2,4-5,7,10,12H,3,6,9H2,1H3
InChIKeyQMJPWHFIXNMTAX-UHFFFAOYSA-N
MW253.31 g/mol
LogP1.91
Rot. Bonds2

About 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile

3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile (PubChem CID 166371430) has the molecular formula C14H15N5 and a molecular weight of 253.31 g/mol. Its IUPAC name is 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile.

Molecular Properties

Compound Name3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile
PubChem CID166371430
Molecular FormulaC14H15N5
Molecular Weight253.31 g/mol
Exact Mass253.13
IUPAC Name3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile
SMILESCc1ccnc(C#N)c1N1CCC(n2ccnc2)C1
InChIInChI=1S/C14H15N5/c1-11-2-4-17-13(8-15)14(11)18-6-3-12(9-18)19-7-5-16-10-19/h2,4-5,7,10,12H,3,6,9H2,1H3
InChIKeyQMJPWHFIXNMTAX-UHFFFAOYSA-N
XLogP1.91
TPSA57.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-imidazol-1-ylpiperidin-1-yl)pyridine-3-carbonitrile
CID 133279853
2-(4-imidazol-1-ylpiperidin-1-yl)pyridine
CID 56788029
1-[(3S)-1-propan-2-ylpyrrolidin-3-yl]imidazole
CID 59927644
2-(4-imidazol-1-ylpiperidin-1-yl)pyrazine
CID 133301086
4-(4-imidazol-1-ylpiperidin-1-yl)-N,N-dimethylaniline
CID 123713425
3-[4-fluoro-4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-4-methylpyridine-2-carbonitrile
CID 170762002
4-(4-imidazol-1-ylpiperidin-1-yl)quinazoline
CID 133279857
3,4-dimethylpyridine-2-carbonitrile
CID 23003409
2,4-ditert-butyl-6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidine
CID 133368138
1-(2,2-dimethylpropyl)-4-imidazol-1-ylpiperidine
CID 58877698
4-[6-(4-imidazol-1-ylpiperidin-1-yl)pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464269
3-[3-(4-cyanopyrazol-1-yl)pyrrolidin-1-yl]pyrazine-2-carbonitrile
CID 126947642

Frequently Asked Questions

What is the IUPAC name of 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile?
The IUPAC name of 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile (CID 166371430) is 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile.
What is the SMILES notation for 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile?
The canonical SMILES for 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile is Cc1ccnc(C#N)c1N1CCC(n2ccnc2)C1.
What is the InChIKey of 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile?
The InChIKey is QMJPWHFIXNMTAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5/c1-11-2-4-17-13(8-15)14(11)18-6-3-12(9-18)19-7-5-16-10-19/h2,4-5,7,10,12H,3,6,9H2,1H3.
What are the key properties of 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile?
3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile has a molecular weight of 253.31 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-imidazol-1-ylpyrrolidin-1-yl)-4-methylpyridine-2-carbonitrile is sourced from PubChem (CID 166371430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).