N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

C18H13ClFN3O — CID 67976166

IUPACN-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ncc(-c3cc(F)ccc3Cl)cc2cn1)C1CC1
InChIInChI=1S/C18H13ClFN3O/c19-15-4-3-13(20)6-14(15)11-5-12-9-22-17(7-16(12)21-8-11)23-18(24)10-1-2-10/h3-10H,1-2H2,(H,22,23,24)
InChIKeyMTSOTIRSZKUEAH-UHFFFAOYSA-N
MW341.77 g/mol
LogP4.44
Rot. Bonds3

About N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide

N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (PubChem CID 67976166) has the molecular formula C18H13ClFN3O and a molecular weight of 341.77 g/mol. Its IUPAC name is N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
PubChem CID67976166
Molecular FormulaC18H13ClFN3O
Molecular Weight341.77 g/mol
Exact Mass341.07
IUPAC NameN-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide
SMILESO=C(Nc1cc2ncc(-c3cc(F)ccc3Cl)cc2cn1)C1CC1
InChIInChI=1S/C18H13ClFN3O/c19-15-4-3-13(20)6-14(15)11-5-12-9-22-17(7-16(12)21-8-11)23-18(24)10-1-2-10/h3-10H,1-2H2,(H,22,23,24)
InChIKeyMTSOTIRSZKUEAH-UHFFFAOYSA-N
XLogP4.44
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.77
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The IUPAC name of N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide (CID 67976166) is N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is O=C(Nc1cc2ncc(-c3cc(F)ccc3Cl)cc2cn1)C1CC1.
What is the InChIKey of N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
The InChIKey is MTSOTIRSZKUEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13ClFN3O/c19-15-4-3-13(20)6-14(15)11-5-12-9-22-17(7-16(12)21-8-11)23-18(24)10-1-2-10/h3-10H,1-2H2,(H,22,23,24).
What are the key properties of N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide?
N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide has a molecular weight of 341.77 g/mol, XLogP of 4.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chloro-5-fluorophenyl)-1,6-naphthyridin-7-yl]cyclopropanecarboxamide is sourced from PubChem (CID 67976166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).