(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide

C27H31ClN4O2 — CID 164611162

IUPAC(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide
SMILESCN1CCC(Oc2ccc(NC(=O)[C@H](NCCc3ccc(Cl)cc3)c3ccccc3)nc2)CC1
InChIInChI=1S/C27H31ClN4O2/c1-32-17-14-23(15-18-32)34-24-11-12-25(30-19-24)31-27(33)26(21-5-3-2-4-6-21)29-16-13-20-7-9-22(28)10-8-20/h2-12,19,23,26,29H,13-18H2,1H3,(H,30,31,33)/t26-/m1/s1
InChIKeySZPNGVSBBDWCER-AREMUKBSSA-N
MW479.02 g/mol
LogP4.72
Rot. Bonds9

About (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide

(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide (PubChem CID 164611162) has the molecular formula C27H31ClN4O2 and a molecular weight of 479.02 g/mol. Its IUPAC name is (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide
PubChem CID164611162
Molecular FormulaC27H31ClN4O2
Molecular Weight479.02 g/mol
Exact Mass478.21
IUPAC Name(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide
SMILESCN1CCC(Oc2ccc(NC(=O)[C@H](NCCc3ccc(Cl)cc3)c3ccccc3)nc2)CC1
InChIInChI=1S/C27H31ClN4O2/c1-32-17-14-23(15-18-32)34-24-11-12-25(30-19-24)31-27(33)26(21-5-3-2-4-6-21)29-16-13-20-7-9-22(28)10-8-20/h2-12,19,23,26,29H,13-18H2,1H3,(H,30,31,33)/t26-/m1/s1
InChIKeySZPNGVSBBDWCER-AREMUKBSSA-N
XLogP4.72
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.02
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2,6-Dichlorophenyl)-1-methyl-7-({4-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl}amino)-1,2-dihydro-1,6-naphthyridin-2-one
CID 5328718
[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]phenyl]-[(3R,5S)-3,5-dimethylpiperazin-1-yl]methanone
CID 21110879
3-Chloro-N-(4-(pyridin-3-yloxy)pyridin-2-yl)benzamide
CID 51037724
3-Chloro-N-(6-(pyridin-3-yloxy)pyrazin-2-yl)benzamide
CID 51037931
3-chloro-N-(6-pyridin-3-yloxy-2-pyridinyl)benzamide
CID 58349181
4-[[(3R)-8-chloro-2,5-dioxo-3-(pyridin-2-ylmethyl)-1,3-dihydro-1,4-benzodiazepin-4-yl]methyl]-N-(5-methoxy-2-pyridinyl)benzamide
CID 132214443
6-(4-Chlorophenyl)-2-[4-[2-(diethylamino)ethoxy]anilino]-8-methylpyrido[2,3-d]pyrimidin-7-one
CID 135382048
(2S)-N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
CID 157423770
(2S)-2-[2-(4-cyanophenyl)propylamino]-N-[5-[1-(cyclopropanecarbonyl)piperidin-4-yl]oxy-2-pyridinyl]-2-phenylacetamide
CID 164612155
(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
CID 164613098
N-[5-[[1-[(2-chlorophenyl)methyl]piperidin-4-yl]methoxy]-3-pyridinyl]-2-(cyclopropanecarbonylamino)pyridine-4-carboxamide
CID 164619696
(2R)-N-[5-(1-acetylazetidin-3-yl)oxy-2-pyridinyl]-2-[[(2S)-2-(4-cyanophenyl)propyl]amino]-2-phenylacetamide
CID 164628241

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide (CID 164611162) is (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide is CN1CCC(Oc2ccc(NC(=O)[C@H](NCCc3ccc(Cl)cc3)c3ccccc3)nc2)CC1.
What is the InChIKey of (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide?
The InChIKey is SZPNGVSBBDWCER-AREMUKBSSA-N. The full InChI is InChI=1S/C27H31ClN4O2/c1-32-17-14-23(15-18-32)34-24-11-12-25(30-19-24)31-27(33)26(21-5-3-2-4-6-21)29-16-13-20-7-9-22(28)10-8-20/h2-12,19,23,26,29H,13-18H2,1H3,(H,30,31,33)/t26-/m1/s1.
What are the key properties of (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide?
(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide has a molecular weight of 479.02 g/mol, XLogP of 4.72, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-(1-methylpiperidin-4-yl)oxy-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 164611162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).