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

C21H22F2N4O2 — CID 46913606

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C21H22F2N4O2/c22-16-9-15(10-17(23)11-16)14-3-6-19(25-12-14)26-20(28)13-1-4-18(5-2-13)27-8-7-24-21(27)29/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,29)(H,25,26,28)
InChIKeyIJDYEKNALMKYHL-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.55
Rot. Bonds4

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

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 46913606) has the molecular formula C21H22F2N4O2 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide
PubChem CID46913606
Molecular FormulaC21H22F2N4O2
Molecular Weight400.43 g/mol
Exact Mass400.17
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCNC2=O)CC1
InChIInChI=1S/C21H22F2N4O2/c22-16-9-15(10-17(23)11-16)14-3-6-19(25-12-14)26-20(28)13-1-4-18(5-2-13)27-8-7-24-21(27)29/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,29)(H,25,26,28)
InChIKeyIJDYEKNALMKYHL-UHFFFAOYSA-N
XLogP3.55
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.55
H-Bond Donors ≤ 52
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-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide (CID 46913606) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCNC2=O)CC1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is IJDYEKNALMKYHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F2N4O2/c22-16-9-15(10-17(23)11-16)14-3-6-19(25-12-14)26-20(28)13-1-4-18(5-2-13)27-8-7-24-21(27)29/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,29)(H,25,26,28).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.55, 4 rotatable bonds, 2 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-(2-oxoimidazolidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46913606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).