5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide

C17H18ClN3O2 — CID 167560910

IUPAC5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
SMILESCc1ccc(O[C@H]2CCN(c3ccc(Cl)cc3C(N)=O)C2)nc1
InChIInChI=1S/C17H18ClN3O2/c1-11-2-5-16(20-9-11)23-13-6-7-21(10-13)15-4-3-12(18)8-14(15)17(19)22/h2-5,8-9,13H,6-7,10H2,1H3,(H2,19,22)/t13-/m0/s1
InChIKeyDQJPWKWUEOJAPG-ZDUSSCGKSA-N
MW331.80 g/mol
LogP2.80
Rot. Bonds4

About 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide

5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide (PubChem CID 167560910) has the molecular formula C17H18ClN3O2 and a molecular weight of 331.80 g/mol. Its IUPAC name is 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide.

Molecular Properties

Compound Name5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
PubChem CID167560910
Molecular FormulaC17H18ClN3O2
Molecular Weight331.80 g/mol
Exact Mass331.11
IUPAC Name5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide
SMILESCc1ccc(O[C@H]2CCN(c3ccc(Cl)cc3C(N)=O)C2)nc1
InChIInChI=1S/C17H18ClN3O2/c1-11-2-5-16(20-9-11)23-13-6-7-21(10-13)15-4-3-12(18)8-14(15)17(19)22/h2-5,8-9,13H,6-7,10H2,1H3,(H2,19,22)/t13-/m0/s1
InChIKeyDQJPWKWUEOJAPG-ZDUSSCGKSA-N
XLogP2.80
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 ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?
The IUPAC name of 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide (CID 167560910) is 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide.
What is the SMILES notation for 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?
The canonical SMILES for 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide is Cc1ccc(O[C@H]2CCN(c3ccc(Cl)cc3C(N)=O)C2)nc1.
What is the InChIKey of 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?
The InChIKey is DQJPWKWUEOJAPG-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H18ClN3O2/c1-11-2-5-16(20-9-11)23-13-6-7-21(10-13)15-4-3-12(18)8-14(15)17(19)22/h2-5,8-9,13H,6-7,10H2,1H3,(H2,19,22)/t13-/m0/s1.
What are the key properties of 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide?
5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide has a molecular weight of 331.80 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(3S)-3-[(5-methyl-2-pyridinyl)oxy]pyrrolidin-1-yl]benzamide is sourced from PubChem (CID 167560910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).