2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide

C26H35Cl2N5O2 — CID 24741964

IUPAC2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide
SMILESCC(C)C[C@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C26H35Cl2N5O2/c1-17(2)13-23(31-24(34)16-29)21-5-4-8-30-25(21)32-9-11-33(12-10-32)26(35)18(3)14-19-6-7-20(27)15-22(19)28/h4-8,15,17-18,23H,9-14,16,29H2,1-3H3,(H,31,34)/t18?,23-/m0/s1
InChIKeyCHXZDXXFVJJJFD-IMMUGOHXSA-N
MW520.51 g/mol
LogP4.08
Rot. Bonds9

About 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide

2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide (PubChem CID 24741964) has the molecular formula C26H35Cl2N5O2 and a molecular weight of 520.51 g/mol. Its IUPAC name is 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide
PubChem CID24741964
Molecular FormulaC26H35Cl2N5O2
Molecular Weight520.51 g/mol
Exact Mass519.22
IUPAC Name2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide
SMILESCC(C)C[C@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1
InChIInChI=1S/C26H35Cl2N5O2/c1-17(2)13-23(31-24(34)16-29)21-5-4-8-30-25(21)32-9-11-33(12-10-32)26(35)18(3)14-19-6-7-20(27)15-22(19)28/h4-8,15,17-18,23H,9-14,16,29H2,1-3H3,(H,31,34)/t18?,23-/m0/s1
InChIKeyCHXZDXXFVJJJFD-IMMUGOHXSA-N
XLogP4.08
TPSA91.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.51
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide?
The IUPAC name of 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide (CID 24741964) is 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide.
What is the SMILES notation for 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide?
The canonical SMILES for 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide is CC(C)C[C@H](NC(=O)CN)c1cccnc1N1CCN(C(=O)C(C)Cc2ccc(Cl)cc2Cl)CC1.
What is the InChIKey of 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide?
The InChIKey is CHXZDXXFVJJJFD-IMMUGOHXSA-N. The full InChI is InChI=1S/C26H35Cl2N5O2/c1-17(2)13-23(31-24(34)16-29)21-5-4-8-30-25(21)32-9-11-33(12-10-32)26(35)18(3)14-19-6-7-20(27)15-22(19)28/h4-8,15,17-18,23H,9-14,16,29H2,1-3H3,(H,31,34)/t18?,23-/m0/s1.
What are the key properties of 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide?
2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide has a molecular weight of 520.51 g/mol, XLogP of 4.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(1S)-1-[2-[4-[3-(2,4-dichlorophenyl)-2-methylpropanoyl]piperazin-1-yl]-3-pyridinyl]-3-methylbutyl]acetamide is sourced from PubChem (CID 24741964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).