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

C21H21F2N3O3 — CID 46913511

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C21H21F2N3O3/c22-16-9-15(10-17(23)11-16)14-3-6-19(24-12-14)25-20(27)13-1-4-18(5-2-13)26-7-8-29-21(26)28/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,25,27)
InChIKeyYPQQARNVJDILSU-UHFFFAOYSA-N
MW401.41 g/mol
LogP3.98
Rot. Bonds4

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

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide (PubChem CID 46913511) has the molecular formula C21H21F2N3O3 and a molecular weight of 401.41 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide
PubChem CID46913511
Molecular FormulaC21H21F2N3O3
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide
SMILESO=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCOC2=O)CC1
InChIInChI=1S/C21H21F2N3O3/c22-16-9-15(10-17(23)11-16)14-3-6-19(24-12-14)25-20(27)13-1-4-18(5-2-13)26-7-8-29-21(26)28/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,25,27)
InChIKeyYPQQARNVJDILSU-UHFFFAOYSA-N
XLogP3.98
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-oxazolidin-3-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide (CID 46913511) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide is O=C(Nc1ccc(-c2cc(F)cc(F)c2)cn1)C1CCC(N2CCOC2=O)CC1.
What is the InChIKey of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide?
The InChIKey is YPQQARNVJDILSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F2N3O3/c22-16-9-15(10-17(23)11-16)14-3-6-19(24-12-14)25-20(27)13-1-4-18(5-2-13)26-7-8-29-21(26)28/h3,6,9-13,18H,1-2,4-5,7-8H2,(H,24,25,27).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide has a molecular weight of 401.41 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(2-oxo-1,3-oxazolidin-3-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46913511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).