5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide

C24H33FN4O2S — CID 140535049

IUPAC5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
SMILESCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCc2c(F)nc(C)c(C(N)=O)c2C)CC1
InChIInChI=1S/C24H33FN4O2S/c1-15(5-6-21-16(2)22(24(26)31)17(3)27-23(21)25)28-10-7-20(8-11-28)29(18(4)30)13-19-9-12-32-14-19/h9,12,14-15,20H,5-8,10-11,13H2,1-4H3,(H2,26,31)/t15-/m1/s1
InChIKeyFPRLCZDIMNGROP-OAHLLOKOSA-N
MW460.62 g/mol
LogP3.83
Rot. Bonds8

About 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide

5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide (PubChem CID 140535049) has the molecular formula C24H33FN4O2S and a molecular weight of 460.62 g/mol. Its IUPAC name is 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
PubChem CID140535049
Molecular FormulaC24H33FN4O2S
Molecular Weight460.62 g/mol
Exact Mass460.23
IUPAC Name5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
SMILESCC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCc2c(F)nc(C)c(C(N)=O)c2C)CC1
InChIInChI=1S/C24H33FN4O2S/c1-15(5-6-21-16(2)22(24(26)31)17(3)27-23(21)25)28-10-7-20(8-11-28)29(18(4)30)13-19-9-12-32-14-19/h9,12,14-15,20H,5-8,10-11,13H2,1-4H3,(H2,26,31)/t15-/m1/s1
InChIKeyFPRLCZDIMNGROP-OAHLLOKOSA-N
XLogP3.83
TPSA79.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.62
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[(3R)-3-[4-[(2-cyanoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
CID 140534969
6-[(3R)-3-[4-[hydroxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 140535065
N-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide
CID 15941085
3-[(3R)-3-[4-[methoxycarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,6-dimethyl-4-pyridin-4-ylbenzamide
CID 140534991
2-[(3R)-3-[4-[(2-methoxyethanethioyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 140535015
2-[(3R)-3-[4-[1H-imidazol-2-ylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4-methylpyridine-3-carboxamide
CID 140535063
1-[1-[(2R)-6-(2,6-dichloro-4-methyl-3-pyridinyl)-6-oxohexan-2-yl]piperidin-4-yl]-1-(thiophen-3-ylmethyl)urea
CID 59590696
N-[1-(4-aminobutan-2-yl)piperidin-4-yl]-3-pyridin-4-yl-N-(thiophen-3-ylmethyl)propanamide
CID 68774075
2-chloro-N-[3-[4-[cyclohexylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-4,6-dimethylpyrimidine-5-carboxamide
CID 15941801
5-[(3R)-3-[4-[benzyl-[(4-cyanophenyl)carbamoyl]amino]piperidin-1-yl]butyl]-6-chloro-2,4-dimethylpyridine-3-carboxamide
CID 140534968
4,6-dimethyl-5-[3-[4-[methylcarbamoyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butylcarbamoyl]pyridine-2-carboxylic acid
CID 68773466
6-chloro-N-[(3R)-3-[4-[(2-methoxyiminoacetyl)-(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-2,4-dimethylpyridine-3-carboxamide
CID 87569818

Frequently Asked Questions

What is the IUPAC name of 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The IUPAC name of 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide (CID 140535049) is 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide.
What is the SMILES notation for 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The canonical SMILES for 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide is CC(=O)N(Cc1ccsc1)C1CCN([C@H](C)CCc2c(F)nc(C)c(C(N)=O)c2C)CC1.
What is the InChIKey of 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
The InChIKey is FPRLCZDIMNGROP-OAHLLOKOSA-N. The full InChI is InChI=1S/C24H33FN4O2S/c1-15(5-6-21-16(2)22(24(26)31)17(3)27-23(21)25)28-10-7-20(8-11-28)29(18(4)30)13-19-9-12-32-14-19/h9,12,14-15,20H,5-8,10-11,13H2,1-4H3,(H2,26,31)/t15-/m1/s1.
What are the key properties of 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide?
5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide has a molecular weight of 460.62 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3R)-3-[4-[acetyl(thiophen-3-ylmethyl)amino]piperidin-1-yl]butyl]-6-fluoro-2,4-dimethylpyridine-3-carboxamide is sourced from PubChem (CID 140535049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).