5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile

C19H18N4O2 — CID 172881446

IUPAC5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCOC(C(=O)N3CCc4ccccc43)C2)cn1
InChIInChI=1S/C19H18N4O2/c20-11-15-5-6-16(12-21-15)22-9-10-25-18(13-22)19(24)23-8-7-14-3-1-2-4-17(14)23/h1-6,12,18H,7-10,13H2
InChIKeyKIYGDZKVANKYJR-UHFFFAOYSA-N
MW334.38 g/mol
LogP1.75
Rot. Bonds2

About 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile

5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile (PubChem CID 172881446) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile
PubChem CID172881446
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile
SMILESN#Cc1ccc(N2CCOC(C(=O)N3CCc4ccccc43)C2)cn1
InChIInChI=1S/C19H18N4O2/c20-11-15-5-6-16(12-21-15)22-9-10-25-18(13-22)19(24)23-8-7-14-3-1-2-4-17(14)23/h1-6,12,18H,7-10,13H2
InChIKeyKIYGDZKVANKYJR-UHFFFAOYSA-N
XLogP1.75
TPSA69.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile?
The IUPAC name of 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile (CID 172881446) is 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile.
What is the SMILES notation for 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile?
The canonical SMILES for 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile is N#Cc1ccc(N2CCOC(C(=O)N3CCc4ccccc43)C2)cn1.
What is the InChIKey of 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile?
The InChIKey is KIYGDZKVANKYJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c20-11-15-5-6-16(12-21-15)22-9-10-25-18(13-22)19(24)23-8-7-14-3-1-2-4-17(14)23/h1-6,12,18H,7-10,13H2.
What are the key properties of 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile?
5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile has a molecular weight of 334.38 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2,3-dihydroindole-1-carbonyl)morpholin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 172881446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).