1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide

C17H18ClN3O2 — CID 134288463

IUPAC1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(Oc2cc(N3CCC(C(N)=O)C3)ccc2Cl)n1
InChIInChI=1S/C17H18ClN3O2/c1-11-3-2-4-16(20-11)23-15-9-13(5-6-14(15)18)21-8-7-12(10-21)17(19)22/h2-6,9,12H,7-8,10H2,1H3,(H2,19,22)
InChIKeyFHYHMRGNYXMEAR-UHFFFAOYSA-N
MW331.80 g/mol
LogP3.15
Rot. Bonds4

About 1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide

1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide (PubChem CID 134288463) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide
PubChem CID134288463
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide
SMILESCc1cccc(Oc2cc(N3CCC(C(N)=O)C3)ccc2Cl)n1
InChIInChI=1S/C17H18ClN3O2/c1-11-3-2-4-16(20-11)23-15-9-13(5-6-14(15)18)21-8-7-12(10-21)17(19)22/h2-6,9,12H,7-8,10H2,1H3,(H2,19,22)
InChIKeyFHYHMRGNYXMEAR-UHFFFAOYSA-N
XLogP3.15
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.80
LogP ≤ 53.15
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-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide (CID 134288463) is 1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide is Cc1cccc(Oc2cc(N3CCC(C(N)=O)C3)ccc2Cl)n1.
What is the InChIKey of 1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide?
The InChIKey is FHYHMRGNYXMEAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-3-2-4-16(20-11)23-15-9-13(5-6-14(15)18)21-8-7-12(10-21)17(19)22/h2-6,9,12H,7-8,10H2,1H3,(H2,19,22).
What are the key properties of 1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide?
1-[4-chloro-3-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide has a molecular weight of 331.80 g/mol, XLogP of 3.15, 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-[(6-methyl-2-pyridinyl)oxy]phenyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 134288463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).