4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile

C27H27N5O — CID 24865615

IUPAC4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCCN3CCCCC3)c2)c1Nc1cccc2[nH]ccc12
InChIInChI=1S/C27H27N5O/c28-17-21-18-29-19-24(27(21)31-26-9-5-8-25-23(26)10-11-30-25)20-6-4-7-22(16-20)33-15-14-32-12-2-1-3-13-32/h4-11,16,18-19,30H,1-3,12-15H2,(H,29,31)
InChIKeyWMEKLMVCWRPPGA-UHFFFAOYSA-N
MW437.55 g/mol
LogP5.71
Rot. Bonds7

About 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile

4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 24865615) has the molecular formula C27H27N5O and a molecular weight of 437.55 g/mol. Its IUPAC name is 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID24865615
Molecular FormulaC27H27N5O
Molecular Weight437.55 g/mol
Exact Mass437.22
IUPAC Name4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCCN3CCCCC3)c2)c1Nc1cccc2[nH]ccc12
InChIInChI=1S/C27H27N5O/c28-17-21-18-29-19-24(27(21)31-26-9-5-8-25-23(26)10-11-30-25)20-6-4-7-22(16-20)33-15-14-32-12-2-1-3-13-32/h4-11,16,18-19,30H,1-3,12-15H2,(H,29,31)
InChIKeyWMEKLMVCWRPPGA-UHFFFAOYSA-N
XLogP5.71
TPSA76.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.55
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile (CID 24865615) is 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(OCCN3CCCCC3)c2)c1Nc1cccc2[nH]ccc12.
What is the InChIKey of 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is WMEKLMVCWRPPGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H27N5O/c28-17-21-18-29-19-24(27(21)31-26-9-5-8-25-23(26)10-11-30-25)20-6-4-7-22(16-20)33-15-14-32-12-2-1-3-13-32/h4-11,16,18-19,30H,1-3,12-15H2,(H,29,31).
What are the key properties of 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile?
4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 437.55 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-ylamino)-5-[3-(2-piperidin-1-ylethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 24865615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).