2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide

C19H22FN3O — CID 162450483

IUPAC2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide
SMILESCCC(C(N)=O)c1nc2c(cc1C)N(c1ccc(F)cc1)CCC2
InChIInChI=1S/C19H22FN3O/c1-3-15(19(21)24)18-12(2)11-17-16(22-18)5-4-10-23(17)14-8-6-13(20)7-9-14/h6-9,11,15H,3-5,10H2,1-2H3,(H2,21,24)
InChIKeyAEORBKDTJFAWDO-UHFFFAOYSA-N
MW327.40 g/mol
LogP3.59
Rot. Bonds4

About 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide

2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide (PubChem CID 162450483) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide
PubChem CID162450483
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide
SMILESCCC(C(N)=O)c1nc2c(cc1C)N(c1ccc(F)cc1)CCC2
InChIInChI=1S/C19H22FN3O/c1-3-15(19(21)24)18-12(2)11-17-16(22-18)5-4-10-23(17)14-8-6-13(20)7-9-14/h6-9,11,15H,3-5,10H2,1-2H3,(H2,21,24)
InChIKeyAEORBKDTJFAWDO-UHFFFAOYSA-N
XLogP3.59
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide (CID 162450483) is 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide is CCC(C(N)=O)c1nc2c(cc1C)N(c1ccc(F)cc1)CCC2.
What is the InChIKey of 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide?
The InChIKey is AEORBKDTJFAWDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN3O/c1-3-15(19(21)24)18-12(2)11-17-16(22-18)5-4-10-23(17)14-8-6-13(20)7-9-14/h6-9,11,15H,3-5,10H2,1-2H3,(H2,21,24).
What are the key properties of 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide?
2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide has a molecular weight of 327.40 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-3-methyl-7,8-dihydro-6H-1,5-naphthyridin-2-yl]butanamide is sourced from PubChem (CID 162450483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).