5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide

C18H16ClF2N3O2 — CID 67960595

IUPAC5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CC(Oc3ccc(F)cc3F)C2)ncc1Cl
InChIInChI=1S/C18H16ClF2N3O2/c19-14-7-22-17(6-13(14)18(25)23-11-2-3-11)24-8-12(9-24)26-16-4-1-10(20)5-15(16)21/h1,4-7,11-12H,2-3,8-9H2,(H,23,25)
InChIKeyMFFWVCOYDZJAPD-UHFFFAOYSA-N
MW379.79 g/mol
LogP3.17
Rot. Bonds5

About 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide

5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide (PubChem CID 67960595) has the molecular formula C18H16ClF2N3O2 and a molecular weight of 379.79 g/mol. Its IUPAC name is 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide
PubChem CID67960595
Molecular FormulaC18H16ClF2N3O2
Molecular Weight379.79 g/mol
Exact Mass379.09
IUPAC Name5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide
SMILESO=C(NC1CC1)c1cc(N2CC(Oc3ccc(F)cc3F)C2)ncc1Cl
InChIInChI=1S/C18H16ClF2N3O2/c19-14-7-22-17(6-13(14)18(25)23-11-2-3-11)24-8-12(9-24)26-16-4-1-10(20)5-15(16)21/h1,4-7,11-12H,2-3,8-9H2,(H,23,25)
InChIKeyMFFWVCOYDZJAPD-UHFFFAOYSA-N
XLogP3.17
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.79
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide (CID 67960595) is 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide is O=C(NC1CC1)c1cc(N2CC(Oc3ccc(F)cc3F)C2)ncc1Cl.
What is the InChIKey of 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide?
The InChIKey is MFFWVCOYDZJAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClF2N3O2/c19-14-7-22-17(6-13(14)18(25)23-11-2-3-11)24-8-12(9-24)26-16-4-1-10(20)5-15(16)21/h1,4-7,11-12H,2-3,8-9H2,(H,23,25).
What are the key properties of 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide?
5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide has a molecular weight of 379.79 g/mol, XLogP of 3.17, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-cyclopropyl-2-[3-(2,4-difluorophenoxy)azetidin-1-yl]pyridine-4-carboxamide is sourced from PubChem (CID 67960595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).