1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide

C24H28N6O2S — CID 55524234

IUPAC1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2c(SC(C)C(=O)N3CCC(C(N)=O)CC3)nnc2-c2ccncc2)cc1C
InChIInChI=1S/C24H28N6O2S/c1-15-4-5-20(14-16(15)2)30-22(19-6-10-26-11-7-19)27-28-24(30)33-17(3)23(32)29-12-8-18(9-13-29)21(25)31/h4-7,10-11,14,17-18H,8-9,12-13H2,1-3H3,(H2,25,31)
InChIKeyQGPYFAJPHDKZDV-UHFFFAOYSA-N
MW464.60 g/mol
LogP3.15
Rot. Bonds6

About 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide

1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide (PubChem CID 55524234) has the molecular formula C24H28N6O2S and a molecular weight of 464.60 g/mol. Its IUPAC name is 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide
PubChem CID55524234
Molecular FormulaC24H28N6O2S
Molecular Weight464.60 g/mol
Exact Mass464.20
IUPAC Name1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide
SMILESCc1ccc(-n2c(SC(C)C(=O)N3CCC(C(N)=O)CC3)nnc2-c2ccncc2)cc1C
InChIInChI=1S/C24H28N6O2S/c1-15-4-5-20(14-16(15)2)30-22(19-6-10-26-11-7-19)27-28-24(30)33-17(3)23(32)29-12-8-18(9-13-29)21(25)31/h4-7,10-11,14,17-18H,8-9,12-13H2,1-3H3,(H2,25,31)
InChIKeyQGPYFAJPHDKZDV-UHFFFAOYSA-N
XLogP3.15
TPSA107.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide with MolForge

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Related Compounds

(2R)-2-[[4-(4-methoxyphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one
CID 7262585
2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one
CID 42987811
1-(azepan-1-yl)-2-[[4-(2-methylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propan-1-one
CID 55418661
2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-prop-2-enylpropanamide
CID 51235906
2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 167839430
N-(cyclopropylcarbamoyl)-2-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46658577
N-(2,5-difluorophenyl)-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 46624535
ethyl 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]piperidine-4-carboxylate
CID 46691402
1-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanoyl]piperidine-4-carboxamide
CID 55540469
1-[2-[[5-(2-chlorophenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide
CID 55523567
1-[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone
CID 41119724
(2R)-2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one
CID 7661580

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide (CID 55524234) is 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide is Cc1ccc(-n2c(SC(C)C(=O)N3CCC(C(N)=O)CC3)nnc2-c2ccncc2)cc1C.
What is the InChIKey of 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide?
The InChIKey is QGPYFAJPHDKZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O2S/c1-15-4-5-20(14-16(15)2)30-22(19-6-10-26-11-7-19)27-28-24(30)33-17(3)23(32)29-12-8-18(9-13-29)21(25)31/h4-7,10-11,14,17-18H,8-9,12-13H2,1-3H3,(H2,25,31).
What are the key properties of 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide?
1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide has a molecular weight of 464.60 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[4-(3,4-dimethylphenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]propanoyl]piperidine-4-carboxamide is sourced from PubChem (CID 55524234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).