6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile

C22H28N4O2 — CID 68862540

IUPAC6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile
SMILESCCOc1cc(CN(c2ccc(C#N)cn2)C2CCNCC2)cc(OCC)c1
InChIInChI=1S/C22H28N4O2/c1-3-27-20-11-18(12-21(13-20)28-4-2)16-26(19-7-9-24-10-8-19)22-6-5-17(14-23)15-25-22/h5-6,11-13,15,19,24H,3-4,7-10,16H2,1-2H3
InChIKeySVDAKEXYAOQGOH-UHFFFAOYSA-N
MW380.49 g/mol
LogP3.51
Rot. Bonds8

About 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile

6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile (PubChem CID 68862540) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile
PubChem CID68862540
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile
SMILESCCOc1cc(CN(c2ccc(C#N)cn2)C2CCNCC2)cc(OCC)c1
InChIInChI=1S/C22H28N4O2/c1-3-27-20-11-18(12-21(13-20)28-4-2)16-26(19-7-9-24-10-8-19)22-6-5-17(14-23)15-25-22/h5-6,11-13,15,19,24H,3-4,7-10,16H2,1-2H3
InChIKeySVDAKEXYAOQGOH-UHFFFAOYSA-N
XLogP3.51
TPSA70.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile?
The IUPAC name of 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile (CID 68862540) is 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile?
The canonical SMILES for 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile is CCOc1cc(CN(c2ccc(C#N)cn2)C2CCNCC2)cc(OCC)c1.
What is the InChIKey of 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile?
The InChIKey is SVDAKEXYAOQGOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-3-27-20-11-18(12-21(13-20)28-4-2)16-26(19-7-9-24-10-8-19)22-6-5-17(14-23)15-25-22/h5-6,11-13,15,19,24H,3-4,7-10,16H2,1-2H3.
What are the key properties of 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile?
6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile has a molecular weight of 380.49 g/mol, XLogP of 3.51, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,5-diethoxyphenyl)methyl-piperidin-4-ylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 68862540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).