6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide

C23H18FN5O2 — CID 56943461

IUPAC6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2ncccn2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H18FN5O2/c24-16-4-8-19(9-5-16)31-18-6-2-15(3-7-18)20-12-17(13-21(29-20)23(25)30)28-14-22-26-10-1-11-27-22/h1-13H,14H2,(H2,25,30)(H,28,29)
InChIKeyHACUGFXGKNVBSC-UHFFFAOYSA-N
MW415.43 g/mol
LogP4.18
Rot. Bonds7

About 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide

6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide (PubChem CID 56943461) has the molecular formula C23H18FN5O2 and a molecular weight of 415.43 g/mol. Its IUPAC name is 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide
PubChem CID56943461
Molecular FormulaC23H18FN5O2
Molecular Weight415.43 g/mol
Exact Mass415.14
IUPAC Name6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide
SMILESNC(=O)c1cc(NCc2ncccn2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1
InChIInChI=1S/C23H18FN5O2/c24-16-4-8-19(9-5-16)31-18-6-2-15(3-7-18)20-12-17(13-21(29-20)23(25)30)28-14-22-26-10-1-11-27-22/h1-13H,14H2,(H2,25,30)(H,28,29)
InChIKeyHACUGFXGKNVBSC-UHFFFAOYSA-N
XLogP4.18
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.43
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(1,1-dioxo-1,4-thiazinan-4-yl)ethylamino]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799580
4-chloro-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66806391
4-[(2R)-2,3-dihydroxypropyl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799547
4-(N-(2-amino-2-oxoethyl)anilino)-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 66799553
6-[4-(4-fluorophenoxy)phenyl]-2-[[(2S)-3-oxobutan-2-yl]amino]pyrimidine-4-carboxamide
CID 118653205
6-[4-(4-fluorophenoxy)phenyl]-4-[[2-(2-oxoimidazolidin-1-yl)ethylamino]methyl]pyridine-2-carboxamide
CID 56943523
6-[(2-amino-2-oxoethyl)amino]-2-[4-(4-fluorophenoxy)phenyl]pyrimidine-4-carboxamide
CID 71283530
3-[2-[6-carbamoyl-4-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]anilino]propanoic acid
CID 66799504
methyl 6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxylate
CID 66666760
2-[4-(4-fluorophenoxy)phenyl]-6-(propylamino)pyrimidine-4-carboxamide
CID 130181617
N-[(2R)-1-amino-3-hydroxy-1-oxopropan-2-yl]-6-[4-(4-fluorophenoxy)phenyl]pyridine-2-carboxamide
CID 56643700
methyl (2S)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]methylamino]propanoate
CID 66806428

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide?
The IUPAC name of 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide (CID 56943461) is 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide is NC(=O)c1cc(NCc2ncccn2)cc(-c2ccc(Oc3ccc(F)cc3)cc2)n1.
What is the InChIKey of 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide?
The InChIKey is HACUGFXGKNVBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18FN5O2/c24-16-4-8-19(9-5-16)31-18-6-2-15(3-7-18)20-12-17(13-21(29-20)23(25)30)28-14-22-26-10-1-11-27-22/h1-13H,14H2,(H2,25,30)(H,28,29).
What are the key properties of 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide?
6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide has a molecular weight of 415.43 g/mol, XLogP of 4.18, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-fluorophenoxy)phenyl]-4-(pyrimidin-2-ylmethylamino)pyridine-2-carboxamide is sourced from PubChem (CID 56943461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).