N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide

C22H24F2N4O2 — CID 46913409

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide
SMILESCN1CCN(C2CCC(C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O
InChIInChI=1S/C22H24F2N4O2/c1-27-8-9-28(22(27)30)19-5-2-14(3-6-19)21(29)26-20-7-4-15(13-25-20)16-10-17(23)12-18(24)11-16/h4,7,10-14,19H,2-3,5-6,8-9H2,1H3,(H,25,26,29)
InChIKeyPCTUSXLXMCKLID-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.89
Rot. Bonds4

About N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 46913409) has the molecular formula C22H24F2N4O2 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide
PubChem CID46913409
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide
SMILESCN1CCN(C2CCC(C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O
InChIInChI=1S/C22H24F2N4O2/c1-27-8-9-28(22(27)30)19-5-2-14(3-6-19)21(29)26-20-7-4-15(13-25-20)16-10-17(23)12-18(24)11-16/h4,7,10-14,19H,2-3,5-6,8-9H2,1H3,(H,25,26,29)
InChIKeyPCTUSXLXMCKLID-UHFFFAOYSA-N
XLogP3.89
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide (CID 46913409) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide is CN1CCN(C2CCC(C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is PCTUSXLXMCKLID-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c1-27-8-9-28(22(27)30)19-5-2-14(3-6-19)21(29)26-20-7-4-15(13-25-20)16-10-17(23)12-18(24)11-16/h4,7,10-14,19H,2-3,5-6,8-9H2,1H3,(H,25,26,29).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46913409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).