N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C22H22FN3O2 — CID 71115190

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C(C)(C)O)n1
InChIInChI=1S/C22H22FN3O2/c1-12-4-7-15(23)9-16(12)18-8-14-11-24-19(26-21(27)13-5-6-13)10-17(14)20(25-18)22(2,3)28/h4,7-11,13,28H,5-6H2,1-3H3,(H,24,26,27)
InChIKeySHJPSQWERCMJPB-UHFFFAOYSA-N
MW379.44 g/mol
LogP4.32
Rot. Bonds4

About N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 71115190) has the molecular formula C22H22FN3O2 and a molecular weight of 379.44 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID71115190
Molecular FormulaC22H22FN3O2
Molecular Weight379.44 g/mol
Exact Mass379.17
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C(C)(C)O)n1
InChIInChI=1S/C22H22FN3O2/c1-12-4-7-15(23)9-16(12)18-8-14-11-24-19(26-21(27)13-5-6-13)10-17(14)20(25-18)22(2,3)28/h4,7-11,13,28H,5-6H2,1-3H3,(H,24,26,27)
InChIKeySHJPSQWERCMJPB-UHFFFAOYSA-N
XLogP4.32
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.44
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 71115190) is N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(C(C)(C)O)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is SHJPSQWERCMJPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2/c1-12-4-7-15(23)9-16(12)18-8-14-11-24-19(26-21(27)13-5-6-13)10-17(14)20(25-18)22(2,3)28/h4,7-11,13,28H,5-6H2,1-3H3,(H,24,26,27).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-5-(2-hydroxypropan-2-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).