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

C22H28N6O2 — CID 90321917

IUPACN-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide
SMILESCCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Nc3cc(C4CC4)ccn3)C2=O)nc1
InChIInChI=1S/C22H28N6O2/c1-4-15-10-24-21(25-11-15)28-12-18(14(2)3)27(22(28)30)13-20(29)26-19-9-17(7-8-23-19)16-5-6-16/h7-11,14,16,18H,4-6,12-13H2,1-3H3,(H,23,26,29)/t18-/m1/s1
InChIKeyVPJSSGIETIJTAG-GOSISDBHSA-N
MW408.51 g/mol
LogP3.22
Rot. Bonds7

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

N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide (PubChem CID 90321917) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide
PubChem CID90321917
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC NameN-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide
SMILESCCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Nc3cc(C4CC4)ccn3)C2=O)nc1
InChIInChI=1S/C22H28N6O2/c1-4-15-10-24-21(25-11-15)28-12-18(14(2)3)27(22(28)30)13-20(29)26-19-9-17(7-8-23-19)16-5-6-16/h7-11,14,16,18H,4-6,12-13H2,1-3H3,(H,23,26,29)/t18-/m1/s1
InChIKeyVPJSSGIETIJTAG-GOSISDBHSA-N
XLogP3.22
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide?
The IUPAC name of N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide (CID 90321917) is N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide.
What is the SMILES notation for N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide?
The canonical SMILES for N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide is CCc1cnc(N2C[C@H](C(C)C)N(CC(=O)Nc3cc(C4CC4)ccn3)C2=O)nc1.
What is the InChIKey of N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide?
The InChIKey is VPJSSGIETIJTAG-GOSISDBHSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-4-15-10-24-21(25-11-15)28-12-18(14(2)3)27(22(28)30)13-20(29)26-19-9-17(7-8-23-19)16-5-6-16/h7-11,14,16,18H,4-6,12-13H2,1-3H3,(H,23,26,29)/t18-/m1/s1.
What are the key properties of N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide?
N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide has a molecular weight of 408.51 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopropyl-2-pyridinyl)-2-[(5S)-3-(5-ethylpyrimidin-2-yl)-2-oxo-5-propan-2-ylimidazolidin-1-yl]acetamide is sourced from PubChem (CID 90321917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).