2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide

C22H20ClN3O — CID 90111592

IUPAC2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C3CC3)c2)cc1
InChIInChI=1S/C22H20ClN3O/c23-17-3-1-2-16(11-17)21-13-19(12-20(26-21)15-6-7-15)25-18-8-4-14(5-9-18)10-22(24)27/h1-5,8-9,11-13,15H,6-7,10H2,(H2,24,27)(H,25,26)
InChIKeySSXLMGFOMAQBST-UHFFFAOYSA-N
MW377.88 g/mol
LogP5.05
Rot. Bonds6

About 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide

2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide (PubChem CID 90111592) has the molecular formula C22H20ClN3O and a molecular weight of 377.88 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide
PubChem CID90111592
Molecular FormulaC22H20ClN3O
Molecular Weight377.88 g/mol
Exact Mass377.13
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide
SMILESNC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C3CC3)c2)cc1
InChIInChI=1S/C22H20ClN3O/c23-17-3-1-2-16(11-17)21-13-19(12-20(26-21)15-6-7-15)25-18-8-4-14(5-9-18)10-22(24)27/h1-5,8-9,11-13,15H,6-7,10H2,(H2,24,27)(H,25,26)
InChIKeySSXLMGFOMAQBST-UHFFFAOYSA-N
XLogP5.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.88
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide (CID 90111592) is 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide is NC(=O)Cc1ccc(Nc2cc(-c3cccc(Cl)c3)nc(C3CC3)c2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide?
The InChIKey is SSXLMGFOMAQBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20ClN3O/c23-17-3-1-2-16(11-17)21-13-19(12-20(26-21)15-6-7-15)25-18-8-4-14(5-9-18)10-22(24)27/h1-5,8-9,11-13,15H,6-7,10H2,(H2,24,27)(H,25,26).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide?
2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide has a molecular weight of 377.88 g/mol, XLogP of 5.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropyl-4-pyridinyl]amino]phenyl]acetamide is sourced from PubChem (CID 90111592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).