N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide

C20H22FN3O — CID 97463902

IUPACN-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cncc2c1CCN(Cc1cccc(F)c1)C2)C1CC1
InChIInChI=1S/C20H22FN3O/c21-18-3-1-2-14(8-18)12-24-7-6-19-16(9-22-10-17(19)13-24)11-23-20(25)15-4-5-15/h1-3,8-10,15H,4-7,11-13H2,(H,23,25)
InChIKeyREJGCRABNZXJOJ-UHFFFAOYSA-N
MW339.41 g/mol
LogP2.81
Rot. Bonds5

About N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide

N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide (PubChem CID 97463902) has the molecular formula C20H22FN3O and a molecular weight of 339.41 g/mol. Its IUPAC name is N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide
PubChem CID97463902
Molecular FormulaC20H22FN3O
Molecular Weight339.41 g/mol
Exact Mass339.17
IUPAC NameN-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide
SMILESO=C(NCc1cncc2c1CCN(Cc1cccc(F)c1)C2)C1CC1
InChIInChI=1S/C20H22FN3O/c21-18-3-1-2-14(8-18)12-24-7-6-19-16(9-22-10-17(19)13-24)11-23-20(25)15-4-5-15/h1-3,8-10,15H,4-7,11-13H2,(H,23,25)
InChIKeyREJGCRABNZXJOJ-UHFFFAOYSA-N
XLogP2.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide?
The IUPAC name of N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide (CID 97463902) is N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide?
The canonical SMILES for N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide is O=C(NCc1cncc2c1CCN(Cc1cccc(F)c1)C2)C1CC1.
What is the InChIKey of N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide?
The InChIKey is REJGCRABNZXJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O/c21-18-3-1-2-14(8-18)12-24-7-6-19-16(9-22-10-17(19)13-24)11-23-20(25)15-4-5-15/h1-3,8-10,15H,4-7,11-13H2,(H,23,25).
What are the key properties of N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide?
N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide has a molecular weight of 339.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[7-[(3-fluorophenyl)methyl]-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]cyclopropanecarboxamide is sourced from PubChem (CID 97463902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).