6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

C25H22F4N4O4 — CID 86293968

IUPAC6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H22F4N4O4/c26-19-4-2-1-3-18(19)20-7-5-16(14-30-20)24(35)31-17-6-8-22(37-25(27,28)29)21(13-17)32-23(34)15-33-9-11-36-12-10-33/h1-8,13-14H,9-12,15H2,(H,31,35)(H,32,34)
InChIKeyLMEAJULYWCIHIQ-UHFFFAOYSA-N
MW518.47 g/mol
LogP4.31
Rot. Bonds7

About 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide

6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (PubChem CID 86293968) has the molecular formula C25H22F4N4O4 and a molecular weight of 518.47 g/mol. Its IUPAC name is 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
PubChem CID86293968
Molecular FormulaC25H22F4N4O4
Molecular Weight518.47 g/mol
Exact Mass518.16
IUPAC Name6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide
SMILESO=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F
InChIInChI=1S/C25H22F4N4O4/c26-19-4-2-1-3-18(19)20-7-5-16(14-30-20)24(35)31-17-6-8-22(37-25(27,28)29)21(13-17)32-23(34)15-33-9-11-36-12-10-33/h1-8,13-14H,9-12,15H2,(H,31,35)(H,32,34)
InChIKeyLMEAJULYWCIHIQ-UHFFFAOYSA-N
XLogP4.31
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500518.47
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide with MolForge

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Related Compounds

5-({3-[4-(Morpholin-4-yl)benzamido]phenyl}methoxy)pyridine-3-carboxamide
CID 121231415
GR-125743
CID 5311130
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)butyl)-4-pyridin-2-ylbenzamide
CID 44427818
[3H]GR 125,743
CID 53321959
4-[3-[4-(4-fluoro-2-methoxyphenyl)piperazin-1-yl]propylamino]-3-N,3-N-dimethylquinoline-3,8-dicarboxamide
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4-(6-(18F)fluoro-3-pyridinyl)-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butyl](18F)benzamide
CID 16105555
4-(2,4-Difluorophenylamino)-6-methoxy-7-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 44571150
N-[4-methoxy-3-(4-methylpiperazin-1-yl)phenyl]-4-pyridin-4-ylbenzamide
CID 9865842
6-[4-(4-fluorophenoxy)phenyl]-N-(2-piperidin-1-ylethyl)pyridine-3-carboxamide
CID 10273574
5-{4-[3-(2-Methoxy-5-trifluoromethyl-phenyl)-ureido]-phenoxy}-N-(2-morpholin-4-yl-ethyl)-nicotinamide
CID 10311959
N-(4-(4-(2-methoxyphenyl)piperazin-1-yl)-trans-but-2-enyl)-4-pyridin-2-ylbenzamide
CID 44427825
5-[2-[5-(4-Methylpiperazin-1-yl)-2-(trifluoromethoxy)anilino]pyrimidin-4-yl]-1-(2,2,2-trifluoroethyl)pyrrole-3-carboxamide
CID 57403865

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide (CID 86293968) is 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is O=C(CN1CCOCC1)Nc1cc(NC(=O)c2ccc(-c3ccccc3F)nc2)ccc1OC(F)(F)F.
What is the InChIKey of 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
The InChIKey is LMEAJULYWCIHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F4N4O4/c26-19-4-2-1-3-18(19)20-7-5-16(14-30-20)24(35)31-17-6-8-22(37-25(27,28)29)21(13-17)32-23(34)15-33-9-11-36-12-10-33/h1-8,13-14H,9-12,15H2,(H,31,35)(H,32,34).
What are the key properties of 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide?
6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide has a molecular weight of 518.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluorophenyl)-N-[3-[(2-morpholin-4-ylacetyl)amino]-4-(trifluoromethoxy)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 86293968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).