7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide

C26H29FN4O5 — CID 69480203

IUPAC7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCCC2)c1=O
InChIInChI=1S/C26H29FN4O5/c1-36-12-9-28-25(34)22-24(33)23-20(14-18(15-29-23)13-17-5-7-19(27)8-6-17)31(26(22)35)16-21(32)30-10-3-2-4-11-30/h5-8,14-15,33H,2-4,9-13,16H2,1H3,(H,28,34)
InChIKeyCDKMAVRQWDOIFA-UHFFFAOYSA-N
MW496.54 g/mol
LogP2.22
Rot. Bonds8

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

7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide (PubChem CID 69480203) has the molecular formula C26H29FN4O5 and a molecular weight of 496.54 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide
PubChem CID69480203
Molecular FormulaC26H29FN4O5
Molecular Weight496.54 g/mol
Exact Mass496.21
IUPAC Name7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide
SMILESCOCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCCC2)c1=O
InChIInChI=1S/C26H29FN4O5/c1-36-12-9-28-25(34)22-24(33)23-20(14-18(15-29-23)13-17-5-7-19(27)8-6-17)31(26(22)35)16-21(32)30-10-3-2-4-11-30/h5-8,14-15,33H,2-4,9-13,16H2,1H3,(H,28,34)
InChIKeyCDKMAVRQWDOIFA-UHFFFAOYSA-N
XLogP2.22
TPSA113.76 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.54
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide (CID 69480203) is 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide is COCCNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N2CCCCC2)c1=O.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide?
The InChIKey is CDKMAVRQWDOIFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN4O5/c1-36-12-9-28-25(34)22-24(33)23-20(14-18(15-29-23)13-17-5-7-19(27)8-6-17)31(26(22)35)16-21(32)30-10-3-2-4-11-30/h5-8,14-15,33H,2-4,9-13,16H2,1H3,(H,28,34).
What are the key properties of 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide?
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide has a molecular weight of 496.54 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-methoxyethyl)-2-oxo-1-(2-oxo-2-piperidin-1-ylethyl)-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69480203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).