N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C23H24FN5O — CID 71128068

IUPACN-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(N2CCNCC2)n1
InChIInChI=1S/C23H24FN5O/c1-14-2-5-17(24)11-18(14)20-10-16-13-26-21(28-23(30)15-3-4-15)12-19(16)22(27-20)29-8-6-25-7-9-29/h2,5,10-13,15,25H,3-4,6-9H2,1H3,(H,26,28,30)
InChIKeyRCCPBXFBUNAYKW-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.50
Rot. Bonds4

About N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 71128068) has the molecular formula C23H24FN5O and a molecular weight of 405.48 g/mol. Its IUPAC name is N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID71128068
Molecular FormulaC23H24FN5O
Molecular Weight405.48 g/mol
Exact Mass405.20
IUPAC NameN-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESCc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(N2CCNCC2)n1
InChIInChI=1S/C23H24FN5O/c1-14-2-5-17(24)11-18(14)20-10-16-13-26-21(28-23(30)15-3-4-15)12-19(16)22(27-20)29-8-6-25-7-9-29/h2,5,10-13,15,25H,3-4,6-9H2,1H3,(H,26,28,30)
InChIKeyRCCPBXFBUNAYKW-UHFFFAOYSA-N
XLogP3.50
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 71128068) is N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is Cc1ccc(F)cc1-c1cc2cnc(NC(=O)C3CC3)cc2c(N2CCNCC2)n1.
What is the InChIKey of N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is RCCPBXFBUNAYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O/c1-14-2-5-17(24)11-18(14)20-10-16-13-26-21(28-23(30)15-3-4-15)12-19(16)22(27-20)29-8-6-25-7-9-29/h2,5,10-13,15,25H,3-4,6-9H2,1H3,(H,26,28,30).
What are the key properties of N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 405.48 g/mol, XLogP of 3.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(5-fluoro-2-methylphenyl)-5-piperazin-1-yl-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 71128068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).