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

C22H23F2N3O2 — CID 46913408

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C22H23F2N3O2/c23-17-10-16(11-18(24)12-17)15-5-8-20(25-13-15)26-22(29)14-3-6-19(7-4-14)27-9-1-2-21(27)28/h5,8,10-14,19H,1-4,6-7,9H2,(H,25,26,29)
InChIKeyVJTLKAQSSWSCFX-UHFFFAOYSA-N
MW399.44 g/mol
LogP4.15
Rot. Bonds4

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

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide (PubChem CID 46913408) has the molecular formula C22H23F2N3O2 and a molecular weight of 399.44 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
PubChem CID46913408
Molecular FormulaC22H23F2N3O2
Molecular Weight399.44 g/mol
Exact Mass399.18
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCC2=O)CC1
InChIInChI=1S/C22H23F2N3O2/c23-17-10-16(11-18(24)12-17)15-5-8-20(25-13-15)26-22(29)14-3-6-19(7-4-14)27-9-1-2-21(27)28/h5,8,10-14,19H,1-4,6-7,9H2,(H,25,26,29)
InChIKeyVJTLKAQSSWSCFX-UHFFFAOYSA-N
XLogP4.15
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-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-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide (CID 46913408) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCCC2=O)CC1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide?
The InChIKey is VJTLKAQSSWSCFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23F2N3O2/c23-17-10-16(11-18(24)12-17)15-5-8-20(25-13-15)26-22(29)14-3-6-19(7-4-14)27-9-1-2-21(27)28/h5,8,10-14,19H,1-4,6-7,9H2,(H,25,26,29).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide has a molecular weight of 399.44 g/mol, XLogP of 4.15, 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-(2-oxopyrrolidin-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46913408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).