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

C22H24F2N4O2 — CID 46913512

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C22H24F2N4O2/c23-17-10-16(11-18(24)12-17)15-4-7-20(26-13-15)27-21(29)14-2-5-19(6-3-14)28-9-1-8-25-22(28)30/h4,7,10-14,19H,1-3,5-6,8-9H2,(H,25,30)(H,26,27,29)
InChIKeyVIWGHBNGJGMYAO-UHFFFAOYSA-N
MW414.46 g/mol
LogP3.94
Rot. Bonds4

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

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide (PubChem CID 46913512) 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-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
PubChem CID46913512
Molecular FormulaC22H24F2N4O2
Molecular Weight414.46 g/mol
Exact Mass414.19
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCNC2=O)CC1
InChIInChI=1S/C22H24F2N4O2/c23-17-10-16(11-18(24)12-17)15-4-7-20(26-13-15)27-21(29)14-2-5-19(6-3-14)28-9-1-8-25-22(28)30/h4,7,10-14,19H,1-3,5-6,8-9H2,(H,25,30)(H,26,27,29)
InChIKeyVIWGHBNGJGMYAO-UHFFFAOYSA-N
XLogP3.94
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide (CID 46913512) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCNC2=O)CC1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide?
The InChIKey is VIWGHBNGJGMYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F2N4O2/c23-17-10-16(11-18(24)12-17)15-4-7-20(26-13-15)27-21(29)14-2-5-19(6-3-14)28-9-1-8-25-22(28)30/h4,7,10-14,19H,1-3,5-6,8-9H2,(H,25,30)(H,26,27,29).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide has a molecular weight of 414.46 g/mol, XLogP of 3.94, 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-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46913512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).