N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C25H21FN4O — CID 71115038

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cnccc2C)n1
InChIInChI=1S/C25H21FN4O/c1-14-3-6-18(26)10-19(14)22-9-17-12-28-23(30-25(31)16-4-5-16)11-20(17)24(29-22)21-13-27-8-7-15(21)2/h3,6-13,16H,4-5H2,1-2H3,(H,28,30,31)
InChIKeyMWYGBLZNOSMEGL-UHFFFAOYSA-N
MW412.47 g/mol
LogP5.46
Rot. Bonds4

About N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 71115038) has the molecular formula C25H21FN4O and a molecular weight of 412.47 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID71115038
Molecular FormulaC25H21FN4O
Molecular Weight412.47 g/mol
Exact Mass412.17
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cnccc2C)n1
InChIInChI=1S/C25H21FN4O/c1-14-3-6-18(26)10-19(14)22-9-17-12-28-23(30-25(31)16-4-5-16)11-20(17)24(29-22)21-13-27-8-7-15(21)2/h3,6-13,16H,4-5H2,1-2H3,(H,28,30,31)
InChIKeyMWYGBLZNOSMEGL-UHFFFAOYSA-N
XLogP5.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.47
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 71115038) is N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(-c2cnccc2C)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is MWYGBLZNOSMEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21FN4O/c1-14-3-6-18(26)10-19(14)22-9-17-12-28-23(30-25(31)16-4-5-16)11-20(17)24(29-22)21-13-27-8-7-15(21)2/h3,6-13,16H,4-5H2,1-2H3,(H,28,30,31).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 412.47 g/mol, XLogP of 5.46, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-5-(4-methyl-3-pyridinyl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71115038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).