pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone

C18H19N3O — CID 110315902

IUPACpyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C18H19N3O/c22-18(15-5-8-19-9-6-15)21-12-7-14-3-4-16(13-17(14)21)20-10-1-2-11-20/h3-6,8-9,13H,1-2,7,10-12H2
InChIKeyCGADKBLTFQWXBH-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.88
Rot. Bonds2

About pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone

pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone (PubChem CID 110315902) has the molecular formula C18H19N3O and a molecular weight of 293.37 g/mol. Its IUPAC name is pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Namepyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
PubChem CID110315902
Molecular FormulaC18H19N3O
Molecular Weight293.37 g/mol
Exact Mass293.15
IUPAC Namepyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
SMILESO=C(c1ccncc1)N1CCc2ccc(N3CCCC3)cc21
InChIInChI=1S/C18H19N3O/c22-18(15-5-8-19-9-6-15)21-12-7-14-3-4-16(13-17(14)21)20-10-1-2-11-20/h3-6,8-9,13H,1-2,7,10-12H2
InChIKeyCGADKBLTFQWXBH-UHFFFAOYSA-N
XLogP2.88
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(6-morpholin-4-yl-2,3-dihydroindol-1-yl)-phenylmethanone
CID 110316076
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-thiophen-2-ylmethanone
CID 110359613
(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 110359620
(3,4-difluorophenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110316006
(3,5-dimethoxyphenyl)-(5-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone
CID 110315984
(5-methoxy-2,3-dihydroindol-1-yl)-pyridin-4-ylmethanone
CID 52795317
(6-fluoro-2,3-dihydroindol-1-yl)-[4-(4-hydroxypiperidin-1-yl)phenyl]methanone
CID 111520398
N-[1-(pyridine-3-carbonyl)-2,3-dihydroindol-6-yl]pyridine-4-carboxamide
CID 112506253
2-(4-morpholin-4-ylphenyl)-1-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)ethanone
CID 110634411
2-cyclopropyl-1-(7-pyrrolidin-1-yl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 110613094
(4-methylphenyl)-(5-morpholin-4-yl-2,3-dihydroindol-1-yl)methanone
CID 110316193
2,3-dihydroindol-1-yl-(2-pyrrolidin-1-ylphenyl)methanone
CID 168513032

Frequently Asked Questions

What is the IUPAC name of pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone (CID 110315902) is pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone is O=C(c1ccncc1)N1CCc2ccc(N3CCCC3)cc21.
What is the InChIKey of pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is CGADKBLTFQWXBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O/c22-18(15-5-8-19-9-6-15)21-12-7-14-3-4-16(13-17(14)21)20-10-1-2-11-20/h3-6,8-9,13H,1-2,7,10-12H2.
What are the key properties of pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone?
pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 293.37 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyridin-4-yl-(6-pyrrolidin-1-yl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 110315902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).