1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide

C16H16ClN3O2 — CID 144839980

IUPAC1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(Cl)c(Oc3ccccn3)c2)C1
InChIInChI=1S/C16H16ClN3O2/c17-13-5-4-12(20-8-6-11(10-20)16(18)21)9-14(13)22-15-3-1-2-7-19-15/h1-5,7,9,11H,6,8,10H2,(H2,18,21)
InChIKeyKZMPFYIULDMUGL-UHFFFAOYSA-N
MW317.78 g/mol
LogP2.84
Rot. Bonds4

About 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide

1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide (PubChem CID 144839980) has the molecular formula C16H16ClN3O2 and a molecular weight of 317.78 g/mol. Its IUPAC name is 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide
PubChem CID144839980
Molecular FormulaC16H16ClN3O2
Molecular Weight317.78 g/mol
Exact Mass317.09
IUPAC Name1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide
SMILESNC(=O)C1CCN(c2ccc(Cl)c(Oc3ccccn3)c2)C1
InChIInChI=1S/C16H16ClN3O2/c17-13-5-4-12(20-8-6-11(10-20)16(18)21)9-14(13)22-15-3-1-2-7-19-15/h1-5,7,9,11H,6,8,10H2,(H2,18,21)
InChIKeyKZMPFYIULDMUGL-UHFFFAOYSA-N
XLogP2.84
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.78
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide (CID 144839980) is 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide is NC(=O)C1CCN(c2ccc(Cl)c(Oc3ccccn3)c2)C1.
What is the InChIKey of 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide?
The InChIKey is KZMPFYIULDMUGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O2/c17-13-5-4-12(20-8-6-11(10-20)16(18)21)9-14(13)22-15-3-1-2-7-19-15/h1-5,7,9,11H,6,8,10H2,(H2,18,21).
What are the key properties of 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide?
1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide has a molecular weight of 317.78 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chloro-3-pyridin-2-yloxyphenyl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 144839980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).