N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

C29H26F2N4O4 — CID 54752121

IUPACN,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCC2=O)c1=O
InChIInChI=1S/C29H26F2N4O4/c30-21-7-3-18(4-8-21)14-20-15-23-26(32-17-20)27(37)25(28(38)33-16-19-5-9-22(31)10-6-19)29(39)35(23)13-12-34-11-1-2-24(34)36/h3-10,15,17,37H,1-2,11-14,16H2,(H,33,38)
InChIKeyMICHNPFNQOVIOX-UHFFFAOYSA-N
MW532.55 g/mol
LogP3.52
Rot. Bonds8

About N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide

N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (PubChem CID 54752121) has the molecular formula C29H26F2N4O4 and a molecular weight of 532.55 g/mol. Its IUPAC name is N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
PubChem CID54752121
Molecular FormulaC29H26F2N4O4
Molecular Weight532.55 g/mol
Exact Mass532.19
IUPAC NameN,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCC2=O)c1=O
InChIInChI=1S/C29H26F2N4O4/c30-21-7-3-18(4-8-21)14-20-15-23-26(32-17-20)27(37)25(28(38)33-16-19-5-9-22(31)10-6-19)29(39)35(23)13-12-34-11-1-2-24(34)36/h3-10,15,17,37H,1-2,11-14,16H2,(H,33,38)
InChIKeyMICHNPFNQOVIOX-UHFFFAOYSA-N
XLogP3.52
TPSA104.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.55
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The IUPAC name of N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide (CID 54752121) is N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is O=C(NCc1ccc(F)cc1)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CCN2CCCC2=O)c1=O.
What is the InChIKey of N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
The InChIKey is MICHNPFNQOVIOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F2N4O4/c30-21-7-3-18(4-8-21)14-20-15-23-26(32-17-20)27(37)25(28(38)33-16-19-5-9-22(31)10-6-19)29(39)35(23)13-12-34-11-1-2-24(34)36/h3-10,15,17,37H,1-2,11-14,16H2,(H,33,38).
What are the key properties of N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide?
N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide has a molecular weight of 532.55 g/mol, XLogP of 3.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,7-bis[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1-[2-(2-oxopyrrolidin-1-yl)ethyl]-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 54752121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).