6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile

C21H19N3 — CID 52545859

IUPAC6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCC(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C21H19N3/c22-15-17-11-12-21(24-16-17)23-14-13-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,16,20H,13-14H2,(H,23,24)
InChIKeyFECHAYMAFCFLRM-UHFFFAOYSA-N
MW313.40 g/mol
LogP4.59
Rot. Bonds6

About 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile

6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile (PubChem CID 52545859) has the molecular formula C21H19N3 and a molecular weight of 313.40 g/mol. Its IUPAC name is 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
PubChem CID52545859
Molecular FormulaC21H19N3
Molecular Weight313.40 g/mol
Exact Mass313.16
IUPAC Name6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile
SMILESN#Cc1ccc(NCCC(c2ccccc2)c2ccccc2)nc1
InChIInChI=1S/C21H19N3/c22-15-17-11-12-21(24-16-17)23-14-13-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,16,20H,13-14H2,(H,23,24)
InChIKeyFECHAYMAFCFLRM-UHFFFAOYSA-N
XLogP4.59
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile?
The IUPAC name of 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile (CID 52545859) is 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile?
The canonical SMILES for 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile is N#Cc1ccc(NCCC(c2ccccc2)c2ccccc2)nc1.
What is the InChIKey of 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile?
The InChIKey is FECHAYMAFCFLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3/c22-15-17-11-12-21(24-16-17)23-14-13-20(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-12,16,20H,13-14H2,(H,23,24).
What are the key properties of 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile?
6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile has a molecular weight of 313.40 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,3-diphenylpropylamino)pyridine-3-carbonitrile is sourced from PubChem (CID 52545859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).