(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C19H22N4O2 — CID 97227478

IUPAC(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCN1CCc2c(NC(=O)N3CC[C@H](Oc4cccnc4)C3)cccc21
InChIInChI=1S/C19H22N4O2/c1-22-10-8-16-17(5-2-6-18(16)22)21-19(24)23-11-7-15(13-23)25-14-4-3-9-20-12-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeySDDSFWJJHHEJGG-HNNXBMFYSA-N
MW338.41 g/mol
LogP2.76
Rot. Bonds3

About (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide

(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 97227478) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID97227478
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESCN1CCc2c(NC(=O)N3CC[C@H](Oc4cccnc4)C3)cccc21
InChIInChI=1S/C19H22N4O2/c1-22-10-8-16-17(5-2-6-18(16)22)21-19(24)23-11-7-15(13-23)25-14-4-3-9-20-12-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)/t15-/m0/s1
InChIKeySDDSFWJJHHEJGG-HNNXBMFYSA-N
XLogP2.76
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078501
(3R)-N-(1-ethyl-3,5-dimethylpyrazol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97064402
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
N-(3-propan-2-yloxy-2-pyridinyl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 119043695
2-oxo-2-(3-pyridin-3-yloxypyrrolidin-1-yl)acetamide
CID 175996540
(2R)-2-amino-1-[(3R)-3-pyridin-3-yloxypyrrolidin-1-yl]propan-1-one
CID 124593054
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
3-(1-methylpiperidin-4-yl)oxypyridine
CID 18433351

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 97227478) is (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide is CN1CCc2c(NC(=O)N3CC[C@H](Oc4cccnc4)C3)cccc21.
What is the InChIKey of (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is SDDSFWJJHHEJGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-22-10-8-16-17(5-2-6-18(16)22)21-19(24)23-11-7-15(13-23)25-14-4-3-9-20-12-14/h2-6,9,12,15H,7-8,10-11,13H2,1H3,(H,21,24)/t15-/m0/s1.
What are the key properties of (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97227478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).