1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide

C15H20ClN3O2 — CID 171992660

IUPAC1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C15H20ClN3O2/c16-13-2-1-6-17-14(13)19-7-3-11(10-19)15(20)18-12-4-8-21-9-5-12/h1-2,6,11-12H,3-5,7-10H2,(H,18,20)
InChIKeyULRNBUALEIBQRI-UHFFFAOYSA-N
MW309.80 g/mol
LogP1.86
Rot. Bonds3

About 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide

1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide (PubChem CID 171992660) has the molecular formula C15H20ClN3O2 and a molecular weight of 309.80 g/mol. Its IUPAC name is 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
PubChem CID171992660
Molecular FormulaC15H20ClN3O2
Molecular Weight309.80 g/mol
Exact Mass309.12
IUPAC Name1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
SMILESO=C(NC1CCOCC1)C1CCN(c2ncccc2Cl)C1
InChIInChI=1S/C15H20ClN3O2/c16-13-2-1-6-17-14(13)19-7-3-11(10-19)15(20)18-12-4-8-21-9-5-12/h1-2,6,11-12H,3-5,7-10H2,(H,18,20)
InChIKeyULRNBUALEIBQRI-UHFFFAOYSA-N
XLogP1.86
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.80
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-isoquinolin-1-yl-N-(oxan-4-yl)piperidine-3-carboxamide
CID 165431884
1-(5-bromo-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171992718
1-(1,3-benzoxazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171994540
1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171994514
N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]benzamide
CID 166217661
1-(5-bromo-2-methylsulfanylpyrimidin-4-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171993187
(2S,5R)-5-(aminomethyl)-N-[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]oxolane-2-carboxamide
CID 120801200
N-cyclobutyl-1-pyridazin-3-ylpyrrolidine-3-carboxamide
CID 110269436
[1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]-thiomorpholin-4-ylmethanone
CID 165434788
N-(oxan-4-ylmethyl)-1-pyrimidin-2-ylpyrrolidine-3-carboxamide
CID 110252079
1-(5-cyano-2-methylsulfanylpyrimidin-4-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171993013
N-[(3R)-1-(3-chloro-2-pyridinyl)pyrrolidin-3-yl]thiomorpholine-4-carboxamide
CID 124594638

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide (CID 171992660) is 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide is O=C(NC1CCOCC1)C1CCN(c2ncccc2Cl)C1.
What is the InChIKey of 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
The InChIKey is ULRNBUALEIBQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2/c16-13-2-1-6-17-14(13)19-7-3-11(10-19)15(20)18-12-4-8-21-9-5-12/h1-2,6,11-12H,3-5,7-10H2,(H,18,20).
What are the key properties of 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide?
1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide has a molecular weight of 309.80 g/mol, XLogP of 1.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-pyridinyl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 171992660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).