7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide

C27H24FN3O3 — CID 57401613

IUPAC7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O
InChIInChI=1S/C27H24FN3O3/c28-21-10-8-18(9-11-21)14-30-26(33)23-25(32)24-22(31(27(23)34)16-19-6-7-19)13-20(15-29-24)12-17-4-2-1-3-5-17/h1-5,8-11,13,15,19,32H,6-7,12,14,16H2,(H,30,33)
InChIKeyFTAFMNFWYJKAJJ-UHFFFAOYSA-N
MW457.51 g/mol
LogP4.17
Rot. Bonds7

About 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide

7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 57401613) has the molecular formula C27H24FN3O3 and a molecular weight of 457.51 g/mol. Its IUPAC name is 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID57401613
Molecular FormulaC27H24FN3O3
Molecular Weight457.51 g/mol
Exact Mass457.18
IUPAC Name7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O
InChIInChI=1S/C27H24FN3O3/c28-21-10-8-18(9-11-21)14-30-26(33)23-25(32)24-22(31(27(23)34)16-19-6-7-19)13-20(15-29-24)12-17-4-2-1-3-5-17/h1-5,8-11,13,15,19,32H,6-7,12,14,16H2,(H,30,33)
InChIKeyFTAFMNFWYJKAJJ-UHFFFAOYSA-N
XLogP4.17
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide (CID 57401613) is 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccccc3)cc2n(CC2CC2)c1=O.
What is the InChIKey of 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is FTAFMNFWYJKAJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN3O3/c28-21-10-8-18(9-11-21)14-30-26(33)23-25(32)24-22(31(27(23)34)16-19-6-7-19)13-20(15-29-24)12-17-4-2-1-3-5-17/h1-5,8-11,13,15,19,32H,6-7,12,14,16H2,(H,30,33).
What are the key properties of 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide?
7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 457.51 g/mol, XLogP of 4.17, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-1-(cyclopropylmethyl)-N-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 57401613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).