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

C26H25N5O2 — CID 24865614

IUPAC4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1cccc2[nH]ccc12
InChIInChI=1S/C26H25N5O2/c27-16-20-17-28-18-23(26(20)30-25-6-2-5-24-22(25)7-8-29-24)19-3-1-4-21(15-19)33-14-11-31-9-12-32-13-10-31/h1-8,15,17-18,29H,9-14H2,(H,28,30)
InChIKeyQEKLUEUSIGZNIT-UHFFFAOYSA-N
MW439.52 g/mol
LogP4.56
Rot. Bonds7

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

4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile (PubChem CID 24865614) has the molecular formula C26H25N5O2 and a molecular weight of 439.52 g/mol. Its IUPAC name is 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
PubChem CID24865614
Molecular FormulaC26H25N5O2
Molecular Weight439.52 g/mol
Exact Mass439.20
IUPAC Name4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile
SMILESN#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1cccc2[nH]ccc12
InChIInChI=1S/C26H25N5O2/c27-16-20-17-28-18-23(26(20)30-25-6-2-5-24-22(25)7-8-29-24)19-3-1-4-21(15-19)33-14-11-31-9-12-32-13-10-31/h1-8,15,17-18,29H,9-14H2,(H,28,30)
InChIKeyQEKLUEUSIGZNIT-UHFFFAOYSA-N
XLogP4.56
TPSA86.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.52
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The IUPAC name of 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile (CID 24865614) is 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The canonical SMILES for 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile is N#Cc1cncc(-c2cccc(OCCN3CCOCC3)c2)c1Nc1cccc2[nH]ccc12.
What is the InChIKey of 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
The InChIKey is QEKLUEUSIGZNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O2/c27-16-20-17-28-18-23(26(20)30-25-6-2-5-24-22(25)7-8-29-24)19-3-1-4-21(15-19)33-14-11-31-9-12-32-13-10-31/h1-8,15,17-18,29H,9-14H2,(H,28,30).
What are the key properties of 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile?
4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile has a molecular weight of 439.52 g/mol, XLogP of 4.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-4-ylamino)-5-[3-(2-morpholin-4-ylethoxy)phenyl]pyridine-3-carbonitrile is sourced from PubChem (CID 24865614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).