N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide

C28H40FN5O — CID 143279415

IUPACN-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(C)cc4F)CC3)C(CC)C2)c(C)c1
InChIInChI=1S/C28H40FN5O/c1-5-24-19-33(27-21(4)16-23(17-31-27)28(35)30-6-2)13-14-34(24)25-9-11-32(12-10-25)18-22-8-7-20(3)15-26(22)29/h7-8,15-17,24-25H,5-6,9-14,18-19H2,1-4H3,(H,30,35)
InChIKeyOMEGRYLHJVULEG-UHFFFAOYSA-N
MW481.66 g/mol
LogP4.15
Rot. Bonds7

About N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide

N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide (PubChem CID 143279415) has the molecular formula C28H40FN5O and a molecular weight of 481.66 g/mol. Its IUPAC name is N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide
PubChem CID143279415
Molecular FormulaC28H40FN5O
Molecular Weight481.66 g/mol
Exact Mass481.32
IUPAC NameN-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(C)cc4F)CC3)C(CC)C2)c(C)c1
InChIInChI=1S/C28H40FN5O/c1-5-24-19-33(27-21(4)16-23(17-31-27)28(35)30-6-2)13-14-34(24)25-9-11-32(12-10-25)18-22-8-7-20(3)15-26(22)29/h7-8,15-17,24-25H,5-6,9-14,18-19H2,1-4H3,(H,30,35)
InChIKeyOMEGRYLHJVULEG-UHFFFAOYSA-N
XLogP4.15
TPSA51.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.66
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide?
The IUPAC name of N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide (CID 143279415) is N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide.
What is the SMILES notation for N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide?
The canonical SMILES for N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide is CCNC(=O)c1cnc(N2CCN(C3CCN(Cc4ccc(C)cc4F)CC3)C(CC)C2)c(C)c1.
What is the InChIKey of N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide?
The InChIKey is OMEGRYLHJVULEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40FN5O/c1-5-24-19-33(27-21(4)16-23(17-31-27)28(35)30-6-2)13-14-34(24)25-9-11-32(12-10-25)18-22-8-7-20(3)15-26(22)29/h7-8,15-17,24-25H,5-6,9-14,18-19H2,1-4H3,(H,30,35).
What are the key properties of N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide?
N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide has a molecular weight of 481.66 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-[3-ethyl-4-[1-[(2-fluoro-4-methylphenyl)methyl]piperidin-4-yl]piperazin-1-yl]-5-methylpyridine-3-carboxamide is sourced from PubChem (CID 143279415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).