1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

C25H28ClN5O2S — CID 166182491

IUPAC1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(Nc1ncc(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1Cl)c1cccnc1
InChIInChI=1S/C25H28ClN5O2S/c1-17(19-4-2-9-27-15-19)30-23-22(26)14-20(16-29-23)25(33)31-11-7-18(8-12-31)24(32)28-10-6-21-5-3-13-34-21/h2-5,9,13-18H,6-8,10-12H2,1H3,(H,28,32)(H,29,30)
InChIKeyIDBGKOKPASGVHU-UHFFFAOYSA-N
MW498.05 g/mol
LogP4.58
Rot. Bonds8

About 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide

1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (PubChem CID 166182491) has the molecular formula C25H28ClN5O2S and a molecular weight of 498.05 g/mol. Its IUPAC name is 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
PubChem CID166182491
Molecular FormulaC25H28ClN5O2S
Molecular Weight498.05 g/mol
Exact Mass497.17
IUPAC Name1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
SMILESCC(Nc1ncc(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1Cl)c1cccnc1
InChIInChI=1S/C25H28ClN5O2S/c1-17(19-4-2-9-27-15-19)30-23-22(26)14-20(16-29-23)25(33)31-11-7-18(8-12-31)24(32)28-10-6-21-5-3-13-34-21/h2-5,9,13-18H,6-8,10-12H2,1H3,(H,28,32)(H,29,30)
InChIKeyIDBGKOKPASGVHU-UHFFFAOYSA-N
XLogP4.58
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.05
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-pyridin-3-ylsulfonyl-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 46602349
1-(furan-3-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 134048432
1-(4-bromobenzoyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 27770344
1-(2-amino-2-phenylacetyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 119308566
1-[(2S)-2-amino-3-methylbutanoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide;hydrochloride
CID 119308575
1-[(2,4-dichlorophenyl)methyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600278
[5-chloro-6-(1-pyridin-2-ylethylamino)-3-pyridinyl]-piperidin-1-ylmethanone
CID 138999377
N-[2-[[3-chloro-5-(piperidine-1-carbonyl)-2-pyridinyl]amino]ethyl]pyridine-3-carboxamide
CID 60561707
(2S)-2-(4-benzoylpiperazin-1-yl)-N-(2-thiophen-2-ylethyl)propanamide
CID 9043467
1-[2-(methoxymethyl)benzoyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600032
1-[4-acetamido-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 50838687
1-(1-ethyl-2,3-dioxo-4H-quinoxaline-6-carbonyl)-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide
CID 60600096

Frequently Asked Questions

What is the IUPAC name of 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The IUPAC name of 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide (CID 166182491) is 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide.
What is the SMILES notation for 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The canonical SMILES for 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is CC(Nc1ncc(C(=O)N2CCC(C(=O)NCCc3cccs3)CC2)cc1Cl)c1cccnc1.
What is the InChIKey of 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
The InChIKey is IDBGKOKPASGVHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28ClN5O2S/c1-17(19-4-2-9-27-15-19)30-23-22(26)14-20(16-29-23)25(33)31-11-7-18(8-12-31)24(32)28-10-6-21-5-3-13-34-21/h2-5,9,13-18H,6-8,10-12H2,1H3,(H,28,32)(H,29,30).
What are the key properties of 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide?
1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide has a molecular weight of 498.05 g/mol, XLogP of 4.58, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-chloro-6-(1-pyridin-3-ylethylamino)pyridine-3-carbonyl]-N-(2-thiophen-2-ylethyl)piperidine-4-carboxamide is sourced from PubChem (CID 166182491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).