ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide

C53H51F3N10O6 — CID 144675056

IUPACethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide
SMILESCC.CCC(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1.NNC(=O)c1cc(-c2ccc(-c3ccc(OCCNC(=O)C(F)(F)F)cc3)cc2)nc2ccncc12
InChIInChI=1S/C26H25N5O3.C25H20F3N5O3.C2H6/c1-2-25(32)29-13-14-34-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(26(33)31-27)22-16-28-12-11-23(22)30-24;26-25(27,28)24(35)31-11-12-36-18-7-5-16(6-8-18)15-1-3-17(4-2-15)22-13-19(23(34)33-29)20-14-30-10-9-21(20)32-22;1-2/h3-12,15-16H,2,13-14,27H2,1H3,(H,29,32)(H,31,33);1-10,13-14H,11-12,29H2,(H,31,35)(H,33,34);1-2H3
InChIKeyLTYUJBFUMPXOBD-UHFFFAOYSA-N
MW981.05 g/mol
LogP8.12
Rot. Bonds15

About ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide

ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide (PubChem CID 144675056) has the molecular formula C53H51F3N10O6 and a molecular weight of 981.05 g/mol. Its IUPAC name is ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide.

Molecular Properties

Compound Nameethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide
PubChem CID144675056
Molecular FormulaC53H51F3N10O6
Molecular Weight981.05 g/mol
Exact Mass980.39
IUPAC Nameethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide
SMILESCC.CCC(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1.NNC(=O)c1cc(-c2ccc(-c3ccc(OCCNC(=O)C(F)(F)F)cc3)cc2)nc2ccncc12
InChIInChI=1S/C26H25N5O3.C25H20F3N5O3.C2H6/c1-2-25(32)29-13-14-34-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(26(33)31-27)22-16-28-12-11-23(22)30-24;26-25(27,28)24(35)31-11-12-36-18-7-5-16(6-8-18)15-1-3-17(4-2-15)22-13-19(23(34)33-29)20-14-30-10-9-21(20)32-22;1-2/h3-12,15-16H,2,13-14,27H2,1H3,(H,29,32)(H,31,33);1-10,13-14H,11-12,29H2,(H,31,35)(H,33,34);1-2H3
InChIKeyLTYUJBFUMPXOBD-UHFFFAOYSA-N
XLogP8.12
TPSA238.46 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds15
Heavy Atoms72
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 500981.05
LogP ≤ 58.12
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)pyridin-3-yl]methyl]-1,6-naphthyridine-2-carboxamide
CID 3631905
2,2,2-trifluoro-N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]acetamide
CID 77107707
2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide
CID 90304093
1,1,1-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]methanesulfonamide
CID 90304583
1,1,1-trifluoro-N-[3-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]propyl]methanesulfonamide
CID 90316147
4-fluoro-N-[4-[4-[1-[4-[(4-fluorobenzoyl)amino]-4-[4-[1-[4-[(4-fluorobenzoyl)amino]-4-[4-(4-methyl-3-pyridinyl)phenyl]-2,3-dihydropyrano[3,2-b]pyridin-8-yl]-2-methoxypyridin-1-ium-3-yl]phenyl]-2,3-dihydropyrano[3,2-b]pyridin-8-yl]-4-methoxypyridin-1-ium-3-yl]phenyl]-2,3-dihydropyrano[3,2-b]pyridin-4-yl]benzamide
CID 123229581
N-(1-cyclohexylethyl)-6-[[3-fluoro-4-[4-[1-[[6-[(2-fluorophenoxy)methyl]pyridine-3-carbonyl]amino]ethyl]cyclohexyl]phenoxy]methyl]pyridine-3-carboxamide
CID 123510852
N-[2-[4-[4-[4-(hydrazinecarbonyl)-7-[2-[2-[4-[4-[2-[(2,2,2-trifluoroacetyl)amino]ethoxy]phenyl]phenyl]-1,6-naphthyridine-4-carbonyl]hydrazinyl]-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide
CID 123683537
methylhydrazine;1,1,1-trifluoro-N-[3-[4-[4-(4-formyl-1,6-naphthyridin-2-yl)phenyl]phenoxy]propyl]methanesulfonamide
CID 144675112
N-[(Z)-5-amino-4-hydrazinylhex-4-enyl]-4-ethoxy-3-fluoro-2-(2-methoxy-4-pyridinyl)quinoline-7-carboxamide
CID 145126604
N-(2,3-dihydro-1,4-benzoxazin-4-yl)-4-morpholin-4-yl-8-[4-(trifluoromethyl)phenyl]quinoline-3-carboxamide
CID 155355611
2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(2-pyridin-2-ylethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-(pyridin-2-ylmethyl)benzamide;2-[1-[2-(3-oxo-1,4-benzoxazin-4-yl)ethyl]piperidin-4-yl]-N-[2-[4-(trifluoromethyl)phenyl]ethyl]benzamide
CID 158261932

Frequently Asked Questions

What is the IUPAC name of ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide?
The IUPAC name of ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide (CID 144675056) is ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide.
What is the SMILES notation for ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide?
The canonical SMILES for ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide is CC.CCC(=O)NCCOc1ccc(-c2ccc(-c3cc(C(=O)NN)c4cnccc4n3)cc2)cc1.NNC(=O)c1cc(-c2ccc(-c3ccc(OCCNC(=O)C(F)(F)F)cc3)cc2)nc2ccncc12.
What is the InChIKey of ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide?
The InChIKey is LTYUJBFUMPXOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N5O3.C25H20F3N5O3.C2H6/c1-2-25(32)29-13-14-34-20-9-7-18(8-10-20)17-3-5-19(6-4-17)24-15-21(26(33)31-27)22-16-28-12-11-23(22)30-24;26-25(27,28)24(35)31-11-12-36-18-7-5-16(6-8-18)15-1-3-17(4-2-15)22-13-19(23(34)33-29)20-14-30-10-9-21(20)32-22;1-2/h3-12,15-16H,2,13-14,27H2,1H3,(H,29,32)(H,31,33);1-10,13-14H,11-12,29H2,(H,31,35)(H,33,34);1-2H3.
What are the key properties of ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide?
ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide has a molecular weight of 981.05 g/mol, XLogP of 8.12, 15 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]propanamide;2,2,2-trifluoro-N-[2-[4-[4-[4-(hydrazinecarbonyl)-1,6-naphthyridin-2-yl]phenyl]phenoxy]ethyl]acetamide is sourced from PubChem (CID 144675056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).