(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide

C27H27N5O2 — CID 165012910

IUPAC(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(CCN[C@@H](C(=O)Nc2ccc(Oc3ncc(C)cn3)cn2)c2ccccc2)cc1
InChIInChI=1S/C27H27N5O2/c1-19-8-10-21(11-9-19)14-15-28-25(22-6-4-3-5-7-22)26(33)32-24-13-12-23(18-29-24)34-27-30-16-20(2)17-31-27/h3-13,16-18,25,28H,14-15H2,1-2H3,(H,29,32,33)/t25-/m1/s1
InChIKeySBLVGHLDMOTZKV-RUZDIDTESA-N
MW453.55 g/mol
LogP4.79
Rot. Bonds9

About (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide

(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide (PubChem CID 165012910) has the molecular formula C27H27N5O2 and a molecular weight of 453.55 g/mol. Its IUPAC name is (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide
PubChem CID165012910
Molecular FormulaC27H27N5O2
Molecular Weight453.55 g/mol
Exact Mass453.22
IUPAC Name(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide
SMILESCc1ccc(CCN[C@@H](C(=O)Nc2ccc(Oc3ncc(C)cn3)cn2)c2ccccc2)cc1
InChIInChI=1S/C27H27N5O2/c1-19-8-10-21(11-9-19)14-15-28-25(22-6-4-3-5-7-22)26(33)32-24-13-12-23(18-29-24)34-27-30-16-20(2)17-31-27/h3-13,16-18,25,28H,14-15H2,1-2H3,(H,29,32,33)/t25-/m1/s1
InChIKeySBLVGHLDMOTZKV-RUZDIDTESA-N
XLogP4.79
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.55
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide
CID 165021666
(2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide
CID 175623083
N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 154694146
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
CID 139425941
2-[2-(4-fluorophenyl)ethylamino]-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 86913137
(2S)-2-[2-(3-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 159385072
N-[5-(1-acetylpiperidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 175622897
2-[2-(4-methylphenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 175630363
2-[2-(4-cyanophenyl)ethylamino]-2-(4-methylphenyl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 155597287
(2S)-2-(4-cyanophenyl)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 160974493
2-[4-[6-[[2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetyl]amino]-3-pyridinyl]phenyl]-2,2-difluoroacetic acid
CID 178082086
(2S)-2-[2-(2,4-dimethylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 158261555

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide (CID 165012910) is (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide is Cc1ccc(CCN[C@@H](C(=O)Nc2ccc(Oc3ncc(C)cn3)cn2)c2ccccc2)cc1.
What is the InChIKey of (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide?
The InChIKey is SBLVGHLDMOTZKV-RUZDIDTESA-N. The full InChI is InChI=1S/C27H27N5O2/c1-19-8-10-21(11-9-19)14-15-28-25(22-6-4-3-5-7-22)26(33)32-24-13-12-23(18-29-24)34-27-30-16-20(2)17-31-27/h3-13,16-18,25,28H,14-15H2,1-2H3,(H,29,32,33)/t25-/m1/s1.
What are the key properties of (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide?
(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide has a molecular weight of 453.55 g/mol, XLogP of 4.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 165012910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).