4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide

C21H25N3O2 — CID 99819338

IUPAC4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccn2)C1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25N3O2/c25-20(21(10-14-26-15-11-21)17-6-2-1-3-7-17)23-18-9-13-24(16-18)19-8-4-5-12-22-19/h1-8,12,18H,9-11,13-16H2,(H,23,25)/t18-/m1/s1
InChIKeyPYJZRSBUQWNXBC-GOSISDBHSA-N
MW351.45 g/mol
LogP2.52
Rot. Bonds4

About 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide

4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide (PubChem CID 99819338) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
PubChem CID99819338
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide
SMILESO=C(N[C@@H]1CCN(c2ccccn2)C1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C21H25N3O2/c25-20(21(10-14-26-15-11-21)17-6-2-1-3-7-17)23-18-9-13-24(16-18)19-8-4-5-12-22-19/h1-8,12,18H,9-11,13-16H2,(H,23,25)/t18-/m1/s1
InChIKeyPYJZRSBUQWNXBC-GOSISDBHSA-N
XLogP2.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-phenyl-N-[1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-yl]oxane-4-carboxamide
CID 91631673
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]benzamide
CID 99697085
4-phenyl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]oxane-4-carboxamide
CID 166190743
N-(1-benzylpiperidin-4-yl)-4-phenyloxane-4-carboxamide
CID 39895770
N-[(3R)-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 97104559
ethane;1-methyl-3-(1-pyridin-2-ylpyrrolidin-3-yl)urea
CID 91102074
5-bromo-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-2-carboxamide
CID 99697078
2-(1-hydroxycyclohexyl)-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]acetamide
CID 97241202
N-[1-(3-ethoxypyrazin-2-yl)pyrrolidin-3-yl]-1-phenylcyclopropane-1-carboxamide
CID 53185662
N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]furan-3-carboxamide
CID 99697234
N-(4-methylidenecyclohexyl)-4-phenyloxane-4-carboxamide
CID 126851440
[4-(4-fluorophenyl)oxan-4-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 91959193

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The IUPAC name of 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide (CID 99819338) is 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide.
What is the SMILES notation for 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The canonical SMILES for 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide is O=C(N[C@@H]1CCN(c2ccccn2)C1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
The InChIKey is PYJZRSBUQWNXBC-GOSISDBHSA-N. The full InChI is InChI=1S/C21H25N3O2/c25-20(21(10-14-26-15-11-21)17-6-2-1-3-7-17)23-18-9-13-24(16-18)19-8-4-5-12-22-19/h1-8,12,18H,9-11,13-16H2,(H,23,25)/t18-/m1/s1.
What are the key properties of 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide?
4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide has a molecular weight of 351.45 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-N-[(3R)-1-pyridin-2-ylpyrrolidin-3-yl]oxane-4-carboxamide is sourced from PubChem (CID 99819338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).