6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile

C17H18N4 — CID 133392213

IUPAC6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2cccc(N3CCCCC3)c2)n1
InChIInChI=1S/C17H18N4/c18-13-15-7-5-9-17(20-15)19-14-6-4-8-16(12-14)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)
InChIKeyXUSOVLJZUIMTEQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.69
Rot. Bonds3

About 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile

6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile (PubChem CID 133392213) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile
PubChem CID133392213
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile
SMILESN#Cc1cccc(Nc2cccc(N3CCCCC3)c2)n1
InChIInChI=1S/C17H18N4/c18-13-15-7-5-9-17(20-15)19-14-6-4-8-16(12-14)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20)
InChIKeyXUSOVLJZUIMTEQ-UHFFFAOYSA-N
XLogP3.69
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-fluoro-4-pyrrolidin-1-ylanilino)pyridine-2-carbonitrile
CID 133392194
3-[(6-cyano-2-pyridinyl)amino]-N-(3-pyrrolidin-1-ylphenyl)butanamide
CID 133416740
3-[(6-cyano-2-pyridinyl)amino]benzamide
CID 107811342
N-phosphanyl-3-pyrrolidin-1-ylaniline
CID 59272549
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
N-[3-(azepan-1-yl)phenyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 71874399
4-[(3-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 60942190
6-[3-(2,2,2-trifluoroethyl)anilino]pyridine-2-carbonitrile
CID 133392722
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431

Frequently Asked Questions

What is the IUPAC name of 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile (CID 133392213) is 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile is N#Cc1cccc(Nc2cccc(N3CCCCC3)c2)n1.
What is the InChIKey of 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile?
The InChIKey is XUSOVLJZUIMTEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c18-13-15-7-5-9-17(20-15)19-14-6-4-8-16(12-14)21-10-2-1-3-11-21/h4-9,12H,1-3,10-11H2,(H,19,20).
What are the key properties of 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile?
6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile has a molecular weight of 278.36 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-piperidin-1-ylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 133392213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).