4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide

C27H25N5O3 — CID 57406050

IUPAC4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide
SMILESNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1
InChIInChI=1S/C27H25N5O3/c28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22/h1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33)
InChIKeyJVGWFGCWUZUWSE-UHFFFAOYSA-N
MW467.53 g/mol
LogP4.60
Rot. Bonds6

About 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide

4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide (PubChem CID 57406050) has the molecular formula C27H25N5O3 and a molecular weight of 467.53 g/mol. Its IUPAC name is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide.

Molecular Properties

Compound Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide
PubChem CID57406050
Molecular FormulaC27H25N5O3
Molecular Weight467.53 g/mol
Exact Mass467.20
IUPAC Name4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide
SMILESNc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1
InChIInChI=1S/C27H25N5O3/c28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22/h1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33)
InChIKeyJVGWFGCWUZUWSE-UHFFFAOYSA-N
XLogP4.60
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.53
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

Lemborexant
CID 56944144
Pyrido[2,3-d]pyrimidin-7-one deriv. 28
CID 5328641
2-(4-(2-diethylaminoethoxy)phenylamino)-8-ethyl-6-phenyl-8H-pyrido(2,3-d)pyrimidin-7-one
CID 5328650
(1R,2S)-N-(5-fluoropyridin-2-yl)-2-(((4-(methoxymethyl)-2-methylpyrimidin-5-yl)oxy)methyl)-2-phenylcyclopropanecarboxamide
CID 56944522
(1R,2S)-2-(3-fluorophenyl)-N-(5-fluoropyridin-2-yl)-2-(((4-(methoxymethyl)-2-methylpyrimidin-5-yl)oxy)methyl)cyclopropanecarboxamide
CID 56944620
N-(3-methyl-2-pyridinyl)-9H-xanthene-9-carboxamide
CID 1221732
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-(3-fluoro-4-methoxyphenyl)-N-(5-fluoropyridin-2-yl)cyclopropanecarboxamide
CID 56943752
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-N-(5-fluoro-4-methylpyridin-2-yl)-2-(3-fluorophenyl)cyclopropanecarboxamide
CID 56944043
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-N-(5-fluoropyridin-2-yl)-2-phenylcyclopropanecarboxamide
CID 56944044
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-N-(5-fluoro-4-methoxypyridin-2-yl)-2-(3-fluorophenyl)cyclopropanecarboxamide
CID 56944143
(1R,2S)-2-(((2,4-dimethylpyrimidin-5-yl)oxy)methyl)-2-(4-fluorophenyl)-N-(5-fluoropyridin-2-yl)cyclopropanecarboxamide
CID 56944245
cis-(1R,2S)-N-(5-cyano-2-pyridinyl)-2-[(4-ethyl-2-methylpyrimidin-5-yl)oxymethyl]-2-phenylcyclopropane-1-carboxamide
CID 56944337

Frequently Asked Questions

What is the IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide?
The IUPAC name of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide (CID 57406050) is 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide.
What is the SMILES notation for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide?
The canonical SMILES for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide is Nc1ncc(-c2ccc(C3(C(=O)Nc4ccc(Oc5ccccc5)cn4)CCOCC3)cc2)cn1.
What is the InChIKey of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide?
The InChIKey is JVGWFGCWUZUWSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N5O3/c28-26-30-16-20(17-31-26)19-6-8-21(9-7-19)27(12-14-34-15-13-27)25(33)32-24-11-10-23(18-29-24)35-22-4-2-1-3-5-22/h1-11,16-18H,12-15H2,(H2,28,30,31)(H,29,32,33).
What are the key properties of 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide?
4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide has a molecular weight of 467.53 g/mol, XLogP of 4.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(2-aminopyrimidin-5-yl)phenyl]-N-(5-phenoxy-2-pyridinyl)oxane-4-carboxamide is sourced from PubChem (CID 57406050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).