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

C23H26F2N4O2 — CID 46912327

IUPACN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
SMILESCN1CCCN(C2CCC(C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O
InChIInChI=1S/C23H26F2N4O2/c1-28-9-2-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)
InChIKeyJOECNFGHVAPEGS-UHFFFAOYSA-N
MW428.48 g/mol
LogP4.28
Rot. Bonds4

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

N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide (PubChem CID 46912327) has the molecular formula C23H26F2N4O2 and a molecular weight of 428.48 g/mol. Its IUPAC name is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
PubChem CID46912327
Molecular FormulaC23H26F2N4O2
Molecular Weight428.48 g/mol
Exact Mass428.20
IUPAC NameN-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide
SMILESCN1CCCN(C2CCC(C(=O)Nc3ccc(-c4cc(F)cc(F)c4)cn3)CC2)C1=O
InChIInChI=1S/C23H26F2N4O2/c1-28-9-2-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30)
InChIKeyJOECNFGHVAPEGS-UHFFFAOYSA-N
XLogP4.28
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.48
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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CID 73438493

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide?
The IUPAC name of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide (CID 46912327) is N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide.
What is the SMILES notation for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide?
The canonical SMILES for N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide is CN1CCCN(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-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide?
The InChIKey is JOECNFGHVAPEGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F2N4O2/c1-28-9-2-10-29(23(28)31)20-6-3-15(4-7-20)22(30)27-21-8-5-16(14-26-21)17-11-18(24)13-19(25)12-17/h5,8,11-15,20H,2-4,6-7,9-10H2,1H3,(H,26,27,30).
What are the key properties of N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide?
N-[5-(3,5-difluorophenyl)-2-pyridinyl]-4-(3-methyl-2-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide has a molecular weight of 428.48 g/mol, XLogP of 4.28, 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-oxo-1,3-diazinan-1-yl)cyclohexane-1-carboxamide is sourced from PubChem (CID 46912327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).