5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide

C45H37F3N10O6 — CID 160986568

IUPAC5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
SMILESCOc1cccc(-c2cncc3ncc(C(N)=O)cc23)c1.NC(=O)c1cnc2cncc(-c3cccc(OC(F)(F)F)c3)c2c1.NC(=O)c1cnc2cncc(N3CCOCC3)c2c1
InChIInChI=1S/C16H10F3N3O2.C16H13N3O2.C13H14N4O2/c17-16(18,19)24-11-3-1-2-9(4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;1-21-12-4-2-3-10(5-12)14-8-18-9-15-13(14)6-11(7-19-15)16(17)20;14-13(18)9-5-10-11(16-6-9)7-15-8-12(10)17-1-3-19-4-2-17/h1-8H,(H2,20,23);2-9H,1H3,(H2,17,20);5-8H,1-4H2,(H2,14,18)
InChIKeyTUBCTAWYBBNRER-UHFFFAOYSA-N
MW870.85 g/mol
LogP6.26
Rot. Bonds8

About 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide

5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide (PubChem CID 160986568) has the molecular formula C45H37F3N10O6 and a molecular weight of 870.85 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
PubChem CID160986568
Molecular FormulaC45H37F3N10O6
Molecular Weight870.85 g/mol
Exact Mass870.28
IUPAC Name5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide
SMILESCOc1cccc(-c2cncc3ncc(C(N)=O)cc23)c1.NC(=O)c1cnc2cncc(-c3cccc(OC(F)(F)F)c3)c2c1.NC(=O)c1cnc2cncc(N3CCOCC3)c2c1
InChIInChI=1S/C16H10F3N3O2.C16H13N3O2.C13H14N4O2/c17-16(18,19)24-11-3-1-2-9(4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;1-21-12-4-2-3-10(5-12)14-8-18-9-15-13(14)6-11(7-19-15)16(17)20;14-13(18)9-5-10-11(16-6-9)7-15-8-12(10)17-1-3-19-4-2-17/h1-8H,(H2,20,23);2-9H,1H3,(H2,17,20);5-8H,1-4H2,(H2,14,18)
InChIKeyTUBCTAWYBBNRER-UHFFFAOYSA-N
XLogP6.26
TPSA237.54 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500870.85
LogP ≤ 56.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

Analyze 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide with MolForge

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Related Compounds

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US9580418, Example 4
CID 118646910
Ethyl 8-methoxy-4-[4-(2-methoxy-3-pyridinyl)piperazin-1-yl]quinoline-3-carboxylate
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Ethyl 8-methoxy-4-[4-[2-(trifluoromethoxy)phenyl]piperazin-1-yl]quinoline-3-carboxylate
CID 162657197
N-[3-fluoro-4-[(6-methoxy-7-pyridin-3-yl-1,5-naphthyridin-4-yl)oxy]phenyl]-5-(4-fluorophenyl)-4-hydroxy-6-methylpyridine-3-carboxamide
CID 156197544
6-(3-fluorophenyl)-N-[1-[(6-methoxy-1,5-naphthyridin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
CID 67267155
6-(3-fluorophenyl)-N-[1-[(6-methoxyquinolin-4-yl)methyl]piperidin-4-yl]pyridine-3-carboxamide
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6-Methoxy-3-[2-(4-morpholin-4-ylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,5-naphthyridine-4-carboxamide
CID 67413161
8-[3-(difluoromethoxy)phenyl]-N-[6-(morpholin-4-ylmethyl)pyridin-3-yl]quinoline-2-carboxamide
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9-(6-Methoxypyridin-3-yl)-1-[4-piperazin-1-yl-3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73437952
9-(6-Methoxypyridin-3-yl)-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
CID 73438153
9-(6-Methoxypyridin-3-yl)-3-methyl-1-[3-(trifluoromethyl)phenyl]pyrimido[5,4-c][1,5]naphthyridine-2,4-dione
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Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The IUPAC name of 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide (CID 160986568) is 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide.
What is the SMILES notation for 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The canonical SMILES for 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide is COc1cccc(-c2cncc3ncc(C(N)=O)cc23)c1.NC(=O)c1cnc2cncc(-c3cccc(OC(F)(F)F)c3)c2c1.NC(=O)c1cnc2cncc(N3CCOCC3)c2c1.
What is the InChIKey of 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
The InChIKey is TUBCTAWYBBNRER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N3O2.C16H13N3O2.C13H14N4O2/c17-16(18,19)24-11-3-1-2-9(4-11)13-7-21-8-14-12(13)5-10(6-22-14)15(20)23;1-21-12-4-2-3-10(5-12)14-8-18-9-15-13(14)6-11(7-19-15)16(17)20;14-13(18)9-5-10-11(16-6-9)7-15-8-12(10)17-1-3-19-4-2-17/h1-8H,(H2,20,23);2-9H,1H3,(H2,17,20);5-8H,1-4H2,(H2,14,18).
What are the key properties of 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide?
5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide has a molecular weight of 870.85 g/mol, XLogP of 6.26, 8 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-1,7-naphthyridine-3-carboxamide;5-morpholin-4-yl-1,7-naphthyridine-3-carboxamide;5-[3-(trifluoromethoxy)phenyl]-1,7-naphthyridine-3-carboxamide is sourced from PubChem (CID 160986568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).