N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide

C17H18ClFN6O2 — CID 90321803

IUPACN-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide
SMILESCC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C17H18ClFN6O2/c1-10(2)13-8-25(16-21-6-12(19)7-22-16)17(27)24(13)9-15(26)23-14-5-11(18)3-4-20-14/h3-7,10,13H,8-9H2,1-2H3,(H,20,23,26)/t13-/m1/s1
InChIKeyLJNRWPPWRUPOJS-CYBMUJFWSA-N
MW392.82 g/mol
LogP2.57
Rot. Bonds5

About N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide

N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide (PubChem CID 90321803) has the molecular formula C17H18ClFN6O2 and a molecular weight of 392.82 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide
PubChem CID90321803
Molecular FormulaC17H18ClFN6O2
Molecular Weight392.82 g/mol
Exact Mass392.12
IUPAC NameN-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide
SMILESCC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1
InChIInChI=1S/C17H18ClFN6O2/c1-10(2)13-8-25(16-21-6-12(19)7-22-16)17(27)24(13)9-15(26)23-14-5-11(18)3-4-20-14/h3-7,10,13H,8-9H2,1-2H3,(H,20,23,26)/t13-/m1/s1
InChIKeyLJNRWPPWRUPOJS-CYBMUJFWSA-N
XLogP2.57
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.82
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide (CID 90321803) is N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide is CC(C)[C@H]1CN(c2ncc(F)cn2)C(=O)N1CC(=O)Nc1cc(Cl)ccn1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide?
The InChIKey is LJNRWPPWRUPOJS-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H18ClFN6O2/c1-10(2)13-8-25(16-21-6-12(19)7-22-16)17(27)24(13)9-15(26)23-14-5-11(18)3-4-20-14/h3-7,10,13H,8-9H2,1-2H3,(H,20,23,26)/t13-/m1/s1.
What are the key properties of N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide?
N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide has a molecular weight of 392.82 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-[(5S)-3-(5-fluoropyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 90321803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).