N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

C26H28F2N4O5 — CID 166831159

IUPACN-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESC=C(CC)NC(=O)c1c(O)c2cc(-c3ccc(OC(F)F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C26H28F2N4O5/c1-3-16(2)30-24(34)21-22(33)20-14-18(17-4-6-19(7-5-17)37-26(27)28)15-29-23(20)32(25(21)35)9-8-31-10-12-36-13-11-31/h4-7,14-15,26,33H,2-3,8-13H2,1H3,(H,30,34)
InChIKeyRLHPYDZASFUABT-UHFFFAOYSA-N
MW514.53 g/mol
LogP3.36
Rot. Bonds9

About N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide

N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 166831159) has the molecular formula C26H28F2N4O5 and a molecular weight of 514.53 g/mol. Its IUPAC name is N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound NameN-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID166831159
Molecular FormulaC26H28F2N4O5
Molecular Weight514.53 g/mol
Exact Mass514.20
IUPAC NameN-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESC=C(CC)NC(=O)c1c(O)c2cc(-c3ccc(OC(F)F)cc3)cnc2n(CCN2CCOCC2)c1=O
InChIInChI=1S/C26H28F2N4O5/c1-3-16(2)30-24(34)21-22(33)20-14-18(17-4-6-19(7-5-17)37-26(27)28)15-29-23(20)32(25(21)35)9-8-31-10-12-36-13-11-31/h4-7,14-15,26,33H,2-3,8-13H2,1H3,(H,30,34)
InChIKeyRLHPYDZASFUABT-UHFFFAOYSA-N
XLogP3.36
TPSA105.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.53
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

4-hydroxy-6-(4-methoxyphenyl)-N-[(2R)-2-methyl-1-bicyclo[1.1.1]pentanyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167499661
6-(4-fluorophenyl)-N-hexyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide;methanol
CID 167499653
6-(4-cyclopropylphenyl)-4-hydroxy-N-(4-methylcyclohexyl)-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831476
N-ethenyl-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-6-pyridin-3-yl-1,8-naphthyridine-3-carboxamide
CID 166831390
6-[5-(difluoromethoxy)-2-pyridinyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831179
6-(4-fluorophenyl)-4-hydroxy-1-[2-[(2R)-2-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
CID 167499609
N-(1-bicyclo[1.1.1]pentanyl)-2-[6-(4-fluorophenyl)-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridin-3-yl]acetamide
CID 167499582
6-(4-fluorophenyl)-4-hydroxy-1-[2-[(3S)-3-methylmorpholin-4-yl]ethyl]-2-oxo-N-spiro[2.3]hexan-5-yl-1,8-naphthyridine-3-carboxamide
CID 167499613
6-(4-methoxyphenyl)-1-(2-morpholin-4-ylethyl)-N-(2-oxaspiro[3.3]heptan-6-yl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 166831308
5-(4-methoxyphenyl)-N-(2-morpholin-4-ylethyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 25176838
acetylene;N-ethenyl-8-hydroxy-5-[2-(1,4-oxazepan-4-yl)ethyl]-6-oxo-2-(trifluoromethyl)pyrido[2,3-b]pyrazine-7-carboxamide
CID 167499619
4-hydroxy-N-[(3S)-3-methylcyclopentyl]-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide
CID 167335719

Frequently Asked Questions

What is the IUPAC name of N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide (CID 166831159) is N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is C=C(CC)NC(=O)c1c(O)c2cc(-c3ccc(OC(F)F)cc3)cnc2n(CCN2CCOCC2)c1=O.
What is the InChIKey of N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is RLHPYDZASFUABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O5/c1-3-16(2)30-24(34)21-22(33)20-14-18(17-4-6-19(7-5-17)37-26(27)28)15-29-23(20)32(25(21)35)9-8-31-10-12-36-13-11-31/h4-7,14-15,26,33H,2-3,8-13H2,1H3,(H,30,34).
What are the key properties of N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide?
N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 514.53 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-1-en-2-yl-6-[4-(difluoromethoxy)phenyl]-4-hydroxy-1-(2-morpholin-4-ylethyl)-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 166831159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).