N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide

C20H22F3N5O3 — CID 165122850

IUPACN-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)C)nc1
InChIInChI=1S/C20H22F3N5O3/c1-12(2)15-10-27(13-4-6-16(24-8-13)20(21,22)23)19(30)28(15)11-18(29)26-17-7-5-14(31-3)9-25-17/h4-9,12,15H,10-11H2,1-3H3,(H,25,26,29)/t15-/m1/s1
InChIKeyQKBKJJYZBBTIML-OAHLLOKOSA-N
MW437.42 g/mol
LogP3.41
Rot. Bonds6

About N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide

N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide (PubChem CID 165122850) has the molecular formula C20H22F3N5O3 and a molecular weight of 437.42 g/mol. Its IUPAC name is N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
PubChem CID165122850
Molecular FormulaC20H22F3N5O3
Molecular Weight437.42 g/mol
Exact Mass437.17
IUPAC NameN-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)C)nc1
InChIInChI=1S/C20H22F3N5O3/c1-12(2)15-10-27(13-4-6-16(24-8-13)20(21,22)23)19(30)28(15)11-18(29)26-17-7-5-14(31-3)9-25-17/h4-9,12,15H,10-11H2,1-3H3,(H,25,26,29)/t15-/m1/s1
InChIKeyQKBKJJYZBBTIML-OAHLLOKOSA-N
XLogP3.41
TPSA87.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.42
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide?
The IUPAC name of N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide (CID 165122850) is N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide?
The canonical SMILES for N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide is COc1ccc(NC(=O)CN2C(=O)N(c3ccc(C(F)(F)F)nc3)C[C@@H]2C(C)C)nc1.
What is the InChIKey of N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide?
The InChIKey is QKBKJJYZBBTIML-OAHLLOKOSA-N. The full InChI is InChI=1S/C20H22F3N5O3/c1-12(2)15-10-27(13-4-6-16(24-8-13)20(21,22)23)19(30)28(15)11-18(29)26-17-7-5-14(31-3)9-25-17/h4-9,12,15H,10-11H2,1-3H3,(H,25,26,29)/t15-/m1/s1.
What are the key properties of N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide?
N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide has a molecular weight of 437.42 g/mol, XLogP of 3.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methoxy-2-pyridinyl)-2-[(5S)-2-oxo-5-propan-2-yl-3-[6-(trifluoromethyl)-3-pyridinyl]imidazolidin-1-yl]acetamide is sourced from PubChem (CID 165122850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).