(2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide

C26H26ClN5O2 — CID 175623083

IUPAC(2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide
SMILESO=C(Nc1ccc(OCCn2cccn2)cn1)[C@@H](NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C26H26ClN5O2/c27-22-9-7-20(8-10-22)13-15-28-25(21-5-2-1-3-6-21)26(33)31-24-12-11-23(19-29-24)34-18-17-32-16-4-14-30-32/h1-12,14,16,19,25,28H,13,15,17-18H2,(H,29,31,33)/t25-/m0/s1
InChIKeyHLCKCYFIIKLVHO-VWLOTQADSA-N
MW475.98 g/mol
LogP4.52
Rot. Bonds11

About (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide

(2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide (PubChem CID 175623083) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide
PubChem CID175623083
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name(2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide
SMILESO=C(Nc1ccc(OCCn2cccn2)cn1)[C@@H](NCCc1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C26H26ClN5O2/c27-22-9-7-20(8-10-22)13-15-28-25(21-5-2-1-3-6-21)26(33)31-24-12-11-23(19-29-24)34-18-17-32-16-4-14-30-32/h1-12,14,16,19,25,28H,13,15,17-18H2,(H,29,31,33)/t25-/m0/s1
InChIKeyHLCKCYFIIKLVHO-VWLOTQADSA-N
XLogP4.52
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(5-methylpyrimidin-2-yl)oxy-2-pyridinyl]-2-phenylacetamide
CID 165012910
2-[2-(4-chlorophenyl)ethylamino]-2-(1-methylpyrazol-4-yl)-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]acetamide
CID 139426187
2-[2-(4-chlorophenyl)ethylamino]-N-(4-imidazol-1-ylphenyl)-2-phenylacetamide
CID 175628645
(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide;(2R)-2-[2-(4-chlorophenyl)ethylamino]-N-[4-(1-methylpyrazol-4-yl)phenyl]-2-phenylacetamide
CID 158662618
(2S)-2-[2-(3-fluoro-4-methylphenyl)ethylamino]-N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 159385072
N-[5-(1-acetylpiperidin-4-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 154694146
(2R)-2-[2-(4-methylphenyl)ethylamino]-N-[5-(oxolan-3-yloxy)-2-pyridinyl]-2-phenylacetamide
CID 165021666
N-[5-(1-methylpyrazol-4-yl)-2-pyridinyl]-2-[2-(6-methyl-3-pyridinyl)ethylamino]-2-phenylacetamide
CID 139425941
(2S)-2-[2-(4-chlorophenoxy)ethylamino]-2-phenylacetamide
CID 33475459
N-[5-(1-acetylpiperidin-3-yl)oxy-2-pyridinyl]-2-[2-(4-cyanophenyl)ethylamino]-2-phenylacetamide
CID 175622897
2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[4-(5-sulfanyl-1H-imidazol-2-yl)phenyl]acetamide
CID 175630397
(2R)-2-[2-(4-chlorophenoxy)ethylamino]-N-(methylcarbamoyl)-2-phenylacetamide
CID 8774164

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide?
The IUPAC name of (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide (CID 175623083) is (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide.
What is the SMILES notation for (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide?
The canonical SMILES for (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide is O=C(Nc1ccc(OCCn2cccn2)cn1)[C@@H](NCCc1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide?
The InChIKey is HLCKCYFIIKLVHO-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c27-22-9-7-20(8-10-22)13-15-28-25(21-5-2-1-3-6-21)26(33)31-24-12-11-23(19-29-24)34-18-17-32-16-4-14-30-32/h1-12,14,16,19,25,28H,13,15,17-18H2,(H,29,31,33)/t25-/m0/s1.
What are the key properties of (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide?
(2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide has a molecular weight of 475.98 g/mol, XLogP of 4.52, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[2-(4-chlorophenyl)ethylamino]-2-phenyl-N-[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]acetamide is sourced from PubChem (CID 175623083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).