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

C26H30FN5O5 — CID 58882920

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1c(=O)c(C(=O)NCCN2CCOCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C26H30FN5O5/c1-30(2)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-8-31-9-11-37-12-10-31/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35)
InChIKeyVOJYATSRMMPZPE-UHFFFAOYSA-N
MW511.55 g/mol
LogP0.98
Rot. Bonds8

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

1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 58882920) has the molecular formula C26H30FN5O5 and a molecular weight of 511.55 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID58882920
Molecular FormulaC26H30FN5O5
Molecular Weight511.55 g/mol
Exact Mass511.22
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESCN(C)C(=O)Cn1c(=O)c(C(=O)NCCN2CCOCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21
InChIInChI=1S/C26H30FN5O5/c1-30(2)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-8-31-9-11-37-12-10-31/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35)
InChIKeyVOJYATSRMMPZPE-UHFFFAOYSA-N
XLogP0.98
TPSA117.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.55
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Gsk-364735
CID 54718859
2-[(2~{R},5~{R})-2-[[(3~{R},5~{R})-3,5-dimethylmorpholin-4-yl]methyl]-5-methyl-piperazin-1-yl]-1-[6-[(~{S})-(4-fluorophenyl)-oxidanyl-methyl]-3,3-dimethyl-2~{H}-pyrrolo[3,2-b]pyridin-1-yl]ethanone
CID 73672620
7-[(4-fluorophenyl)methyl]-4-hydroxy-N,1-dimethyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 54729990
N-(2,2-difluoroethyl)-7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 58882896
7-[(4-fluorophenyl)methyl]-4-hydroxy-1-methyl-N-{2-[methyl(methylsulfonyl)amino]ethyl}-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69480972
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(1S)-2-hydroxy-1-methylethyl]-1-methyl-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 69481025
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-hydroxypropyl)-1-methyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 69482466
N-[(4-fluorophenyl)methyl]-4-hydroxy-1-isopropyl-2-oxo-1,5-naphthyridine-3-carboxamide
CID 57395697
9-fluoro-1-hydroxy-5-methyl-3-oxo-N-(pyridin-3-ylmethyl)-3,5,6,7-tetrahydropyrido[3,2,1-ij]quinoline-2-carboxamide
CID 54679465
N-(4-fluorobenzyl)4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690727
N-Cyclopropyl-7-[(4-fluorophenyl)methyl]-4-hydroxy-2-oxo-1,2-dihydro-1,5-naphthyridine-3-carboxamide
CID 54690871
7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(3-morpholin-4-ylpropyl)-2-oxo-1H-1,5-naphthyridine-3-carboxamide
CID 54697548

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide (CID 58882920) is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is CN(C)C(=O)Cn1c(=O)c(C(=O)NCCN2CCOCC2)c(O)c2ncc(Cc3ccc(F)cc3)cc21.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is VOJYATSRMMPZPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O5/c1-30(2)21(33)16-32-20-14-18(13-17-3-5-19(27)6-4-17)15-29-23(20)24(34)22(26(32)36)25(35)28-7-8-31-9-11-37-12-10-31/h3-6,14-15,34H,7-13,16H2,1-2H3,(H,28,35).
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 511.55 g/mol, XLogP of 0.98, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-(2-morpholin-4-ylethyl)-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 58882920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).