(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide

C26H26ClN5O2 — CID 164613098

IUPAC(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
SMILESCn1cc(COc2ccc(NC(=O)[C@@H](NCCc3ccc(Cl)cc3)c3ccccc3)nc2)cn1
InChIInChI=1S/C26H26ClN5O2/c1-32-17-20(15-30-32)18-34-23-11-12-24(29-16-23)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-22(27)10-8-19/h2-12,15-17,25,28H,13-14,18H2,1H3,(H,29,31,33)/t25-/m0/s1
InChIKeyUVHJDTGKENOYRK-VWLOTQADSA-N
MW475.98 g/mol
LogP4.56
Rot. Bonds10

About (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide

(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide (PubChem CID 164613098) has the molecular formula C26H26ClN5O2 and a molecular weight of 475.98 g/mol. Its IUPAC name is (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
PubChem CID164613098
Molecular FormulaC26H26ClN5O2
Molecular Weight475.98 g/mol
Exact Mass475.18
IUPAC Name(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide
SMILESCn1cc(COc2ccc(NC(=O)[C@@H](NCCc3ccc(Cl)cc3)c3ccccc3)nc2)cn1
InChIInChI=1S/C26H26ClN5O2/c1-32-17-20(15-30-32)18-34-23-11-12-24(29-16-23)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-22(27)10-8-19/h2-12,15-17,25,28H,13-14,18H2,1H3,(H,29,31,33)/t25-/m0/s1
InChIKeyUVHJDTGKENOYRK-VWLOTQADSA-N
XLogP4.56
TPSA81.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.98
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide?
The IUPAC name of (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide (CID 164613098) is (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide.
What is the SMILES notation for (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide?
The canonical SMILES for (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide is Cn1cc(COc2ccc(NC(=O)[C@@H](NCCc3ccc(Cl)cc3)c3ccccc3)nc2)cn1.
What is the InChIKey of (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide?
The InChIKey is UVHJDTGKENOYRK-VWLOTQADSA-N. The full InChI is InChI=1S/C26H26ClN5O2/c1-32-17-20(15-30-32)18-34-23-11-12-24(29-16-23)31-26(33)25(21-5-3-2-4-6-21)28-14-13-19-7-9-22(27)10-8-19/h2-12,15-17,25,28H,13-14,18H2,1H3,(H,29,31,33)/t25-/m0/s1.
What are the key properties of (2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide?
(2S)-2-[2-(4-chlorophenyl)ethylamino]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide has a molecular weight of 475.98 g/mol, XLogP of 4.56, 10 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]-N-[5-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]-2-phenylacetamide is sourced from PubChem (CID 164613098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).