2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

C28H29N5O2S — CID 3809794

IUPAC2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)n1
InChIInChI=1S/C28H29N5O2S/c1-20-4-9-25(27(34)30-13-10-24-3-2-18-36-24)26(31-20)21-11-15-32(16-12-21)28(35)22-5-7-23(8-6-22)33-17-14-29-19-33/h2-9,14,17-19,21H,10-13,15-16H2,1H3,(H,30,34)
InChIKeyKDVFDAOYIWGMDU-UHFFFAOYSA-N
MW499.64 g/mol
LogP4.63
Rot. Bonds7

About 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide

2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (PubChem CID 3809794) has the molecular formula C28H29N5O2S and a molecular weight of 499.64 g/mol. Its IUPAC name is 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
PubChem CID3809794
Molecular FormulaC28H29N5O2S
Molecular Weight499.64 g/mol
Exact Mass499.20
IUPAC Name2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)n1
InChIInChI=1S/C28H29N5O2S/c1-20-4-9-25(27(34)30-13-10-24-3-2-18-36-24)26(31-20)21-11-15-32(16-12-21)28(35)22-5-7-23(8-6-22)33-17-14-29-19-33/h2-9,14,17-19,21H,10-13,15-16H2,1H3,(H,30,34)
InChIKeyKDVFDAOYIWGMDU-UHFFFAOYSA-N
XLogP4.63
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.64
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3-bromobenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 42868055
6-methyl-2-[1-(oxolane-2-carbonyl)piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3757231
2-[1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3402659
2-[1-(3-chloro-4-methylthiophene-2-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3861457
6-methyl-N-(2-thiophen-2-ylethyl)-2-[1-(3-thiophen-2-ylprop-2-enoyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3804895
2-[1-[2-(difluoromethoxy)benzoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3744816
2-[1-(1,3-dimethylthieno[3,2-d]pyrazole-5-carbonyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3798524
6-methyl-2-[1-[(2S)-5-oxopyrrolidine-2-carbonyl]piperidin-4-yl]-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 74225797
2-[1-[(4-methoxyphenyl)carbamothioyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 3690110
N-(4-imidazol-1-ylphenyl)-6-methyl-2-[1-(2-methyl-3H-benzimidazole-5-carbonyl)piperidin-4-yl]pyridine-3-carboxamide
CID 3702850
2-[1-[(E)-3-(4,5-dimethylfuran-2-yl)prop-2-enoyl]piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide
CID 6116627
methyl (2S)-2-acetamido-4-[4-[6-methyl-3-(2-thiophen-2-ylethylcarbamoyl)-2-pyridinyl]piperidin-1-yl]-4-oxobutanoate
CID 74227185

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The IUPAC name of 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide (CID 3809794) is 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is Cc1ccc(C(=O)NCCc2cccs2)c(C2CCN(C(=O)c3ccc(-n4ccnc4)cc3)CC2)n1.
What is the InChIKey of 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
The InChIKey is KDVFDAOYIWGMDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N5O2S/c1-20-4-9-25(27(34)30-13-10-24-3-2-18-36-24)26(31-20)21-11-15-32(16-12-21)28(35)22-5-7-23(8-6-22)33-17-14-29-19-33/h2-9,14,17-19,21H,10-13,15-16H2,1H3,(H,30,34).
What are the key properties of 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide?
2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide has a molecular weight of 499.64 g/mol, XLogP of 4.63, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-imidazol-1-ylbenzoyl)piperidin-4-yl]-6-methyl-N-(2-thiophen-2-ylethyl)pyridine-3-carboxamide is sourced from PubChem (CID 3809794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).