6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile

C16H15FN4 — CID 133392194

IUPAC6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(N3CCCC3)c(F)c2)n1
InChIInChI=1S/C16H15FN4/c17-14-10-12(6-7-15(14)21-8-1-2-9-21)19-16-5-3-4-13(11-18)20-16/h3-7,10H,1-2,8-9H2,(H,19,20)
InChIKeyOZNDRNJASWYTMA-UHFFFAOYSA-N
MW282.32 g/mol
LogP3.44
Rot. Bonds3

About 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile

6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile (PubChem CID 133392194) has the molecular formula C16H15FN4 and a molecular weight of 282.32 g/mol. Its IUPAC name is 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile
PubChem CID133392194
Molecular FormulaC16H15FN4
Molecular Weight282.32 g/mol
Exact Mass282.13
IUPAC Name6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2ccc(N3CCCC3)c(F)c2)n1
InChIInChI=1S/C16H15FN4/c17-14-10-12(6-7-15(14)21-8-1-2-9-21)19-16-5-3-4-13(11-18)20-16/h3-7,10H,1-2,8-9H2,(H,19,20)
InChIKeyOZNDRNJASWYTMA-UHFFFAOYSA-N
XLogP3.44
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.32
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile
CID 133392213
6-[4-(4-methoxypiperidin-1-yl)-3-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 133392432
6-[4-(difluoromethoxy)-3-fluoroanilino]pyridine-2-carbonitrile
CID 133392141
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
2,3,5,6-tetrafluoro-N-(3-fluoro-4-pyrrolidin-1-ylphenyl)pyridin-4-amine
CID 133371577
6-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]pyridine-2-carbonitrile
CID 133392008
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
5-[(3-fluoro-4-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743234
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
CID 64992307

Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile (CID 133392194) is 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile is N#Cc1cccc(Nc2ccc(N3CCCC3)c(F)c2)n1.
What is the InChIKey of 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile?
The InChIKey is OZNDRNJASWYTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4/c17-14-10-12(6-7-15(14)21-8-1-2-9-21)19-16-5-3-4-13(11-18)20-16/h3-7,10H,1-2,8-9H2,(H,19,20).
What are the key properties of 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile?
6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile has a molecular weight of 282.32 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 133392194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).