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

C23H25FN4O5 — CID 69482699

IUPAC1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESC[C@@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O
InChIInChI=1S/C23H25FN4O5/c1-13(29)10-26-22(32)19-21(31)20-17(28(23(19)33)12-18(30)27(2)3)9-15(11-25-20)8-14-4-6-16(24)7-5-14/h4-7,9,11,13,29,31H,8,10,12H2,1-3H3,(H,26,32)/t13-/m1/s1
InChIKeyKKDNFRLOMQTWSZ-CYBMUJFWSA-N
MW456.47 g/mol
LogP1.03
Rot. Bonds7

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

1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide (PubChem CID 69482699) has the molecular formula C23H25FN4O5 and a molecular weight of 456.47 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide
PubChem CID69482699
Molecular FormulaC23H25FN4O5
Molecular Weight456.47 g/mol
Exact Mass456.18
IUPAC Name1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide
SMILESC[C@@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O
InChIInChI=1S/C23H25FN4O5/c1-13(29)10-26-22(32)19-21(31)20-17(28(23(19)33)12-18(30)27(2)3)9-15(11-25-20)8-14-4-6-16(24)7-5-14/h4-7,9,11,13,29,31H,8,10,12H2,1-3H3,(H,26,32)/t13-/m1/s1
InChIKeyKKDNFRLOMQTWSZ-CYBMUJFWSA-N
XLogP1.03
TPSA124.76 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.47
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The IUPAC name of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide (CID 69482699) is 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-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-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The canonical SMILES for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide is C[C@@H](O)CNC(=O)c1c(O)c2ncc(Cc3ccc(F)cc3)cc2n(CC(=O)N(C)C)c1=O.
What is the InChIKey of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
The InChIKey is KKDNFRLOMQTWSZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H25FN4O5/c1-13(29)10-26-22(32)19-21(31)20-17(28(23(19)33)12-18(30)27(2)3)9-15(11-25-20)8-14-4-6-16(24)7-5-14/h4-7,9,11,13,29,31H,8,10,12H2,1-3H3,(H,26,32)/t13-/m1/s1.
What are the key properties of 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide?
1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide has a molecular weight of 456.47 g/mol, XLogP of 1.03, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-oxoethyl]-7-[(4-fluorophenyl)methyl]-4-hydroxy-N-[(2R)-2-hydroxypropyl]-2-oxo-1,5-naphthyridine-3-carboxamide is sourced from PubChem (CID 69482699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).