2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide

C17H17ClFN3O2 — CID 56702705

IUPAC2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1cc(F)c(CN2CCCC2)c(Cl)c1
InChIInChI=1S/C17H17ClFN3O2/c18-14-8-11(24-17-12(16(20)23)4-3-5-21-17)9-15(19)13(14)10-22-6-1-2-7-22/h3-5,8-9H,1-2,6-7,10H2,(H2,20,23)
InChIKeyGDJAAJNPXZXUSK-UHFFFAOYSA-N
MW349.79 g/mol
LogP3.36
Rot. Bonds5

About 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide

2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide (PubChem CID 56702705) has the molecular formula C17H17ClFN3O2 and a molecular weight of 349.79 g/mol. Its IUPAC name is 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide
PubChem CID56702705
Molecular FormulaC17H17ClFN3O2
Molecular Weight349.79 g/mol
Exact Mass349.10
IUPAC Name2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide
SMILESNC(=O)c1cccnc1Oc1cc(F)c(CN2CCCC2)c(Cl)c1
InChIInChI=1S/C17H17ClFN3O2/c18-14-8-11(24-17-12(16(20)23)4-3-5-21-17)9-15(19)13(14)10-22-6-1-2-7-22/h3-5,8-9H,1-2,6-7,10H2,(H2,20,23)
InChIKeyGDJAAJNPXZXUSK-UHFFFAOYSA-N
XLogP3.36
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.79
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide?
The IUPAC name of 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide (CID 56702705) is 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide.
What is the SMILES notation for 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide?
The canonical SMILES for 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide is NC(=O)c1cccnc1Oc1cc(F)c(CN2CCCC2)c(Cl)c1.
What is the InChIKey of 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide?
The InChIKey is GDJAAJNPXZXUSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClFN3O2/c18-14-8-11(24-17-12(16(20)23)4-3-5-21-17)9-15(19)13(14)10-22-6-1-2-7-22/h3-5,8-9H,1-2,6-7,10H2,(H2,20,23).
What are the key properties of 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide?
2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide has a molecular weight of 349.79 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-fluoro-4-(pyrrolidin-1-ylmethyl)phenoxy]pyridine-3-carboxamide is sourced from PubChem (CID 56702705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).