(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide

C19H21N3O2 — CID 97078501

IUPAC(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)N1CC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C19H21N3O2/c23-19(21-16-7-6-14-3-1-4-15(14)11-16)22-10-8-18(13-22)24-17-5-2-9-20-12-17/h2,5-7,9,11-12,18H,1,3-4,8,10,13H2,(H,21,23)/t18-/m0/s1
InChIKeyJNYCASWOAKDGSZ-SFHVURJKSA-N
MW323.40 g/mol
LogP3.26
Rot. Bonds3

About (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide

(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide (PubChem CID 97078501) has the molecular formula C19H21N3O2 and a molecular weight of 323.40 g/mol. Its IUPAC name is (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
PubChem CID97078501
Molecular FormulaC19H21N3O2
Molecular Weight323.40 g/mol
Exact Mass323.16
IUPAC Name(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc2c(c1)CCC2)N1CC[C@H](Oc2cccnc2)C1
InChIInChI=1S/C19H21N3O2/c23-19(21-16-7-6-14-3-1-4-15(14)11-16)22-10-8-18(13-22)24-17-5-2-9-20-12-17/h2,5-7,9,11-12,18H,1,3-4,8,10,13H2,(H,21,23)/t18-/m0/s1
InChIKeyJNYCASWOAKDGSZ-SFHVURJKSA-N
XLogP3.26
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-N-pyridin-2-yl-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97084803
N-(3-chlorophenyl)-4-pyridin-3-yloxypiperidine-1-carboxamide
CID 90566112
N-(2,3-dihydro-1H-inden-5-yl)-2-oxo-2-(4-phenoxypiperidin-1-yl)acetamide
CID 47695218
pyridin-4-yl-(3-pyridin-3-yloxypyrrolidin-1-yl)methanone
CID 110876433
(3S)-3-pyridin-3-yloxy-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)pyrrolidine-1-carboxamide
CID 97012552
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxypyrrolidine-1-carboxamide
CID 111431168
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393
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
(3S)-N-(1-methyl-2,3-dihydroindol-4-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97227478
2,3-dihydro-1H-inden-5-yl-[(4S,5S)-4-hydroxy-5-pyridin-3-yloxyazepan-1-yl]methanone
CID 110128628
(3S)-N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide
CID 97078503

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide (CID 97078501) is (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide is O=C(Nc1ccc2c(c1)CCC2)N1CC[C@H](Oc2cccnc2)C1.
What is the InChIKey of (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
The InChIKey is JNYCASWOAKDGSZ-SFHVURJKSA-N. The full InChI is InChI=1S/C19H21N3O2/c23-19(21-16-7-6-14-3-1-4-15(14)11-16)22-10-8-18(13-22)24-17-5-2-9-20-12-17/h2,5-7,9,11-12,18H,1,3-4,8,10,13H2,(H,21,23)/t18-/m0/s1.
What are the key properties of (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide?
(3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 3.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2,3-dihydro-1H-inden-5-yl)-3-pyridin-3-yloxypyrrolidine-1-carboxamide is sourced from PubChem (CID 97078501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).