4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide

C24H29N5OS — CID 25289387

IUPAC4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2snnc2C)CC1
InChIInChI=1S/C24H29N5OS/c1-18-6-3-4-8-22(18)17-28-12-9-20(10-13-28)15-29(16-21-7-5-11-25-14-21)24(30)23-19(2)26-27-31-23/h3-8,11,14,20H,9-10,12-13,15-17H2,1-2H3
InChIKeyZSOZZCHKHNDJKZ-UHFFFAOYSA-N
MW435.60 g/mol
LogP4.10
Rot. Bonds7

About 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide

4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide (PubChem CID 25289387) has the molecular formula C24H29N5OS and a molecular weight of 435.60 g/mol. Its IUPAC name is 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
PubChem CID25289387
Molecular FormulaC24H29N5OS
Molecular Weight435.60 g/mol
Exact Mass435.21
IUPAC Name4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide
SMILESCc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2snnc2C)CC1
InChIInChI=1S/C24H29N5OS/c1-18-6-3-4-8-22(18)17-28-12-9-20(10-13-28)15-29(16-21-7-5-11-25-14-21)24(30)23-19(2)26-27-31-23/h3-8,11,14,20H,9-10,12-13,15-17H2,1-2H3
InChIKeyZSOZZCHKHNDJKZ-UHFFFAOYSA-N
XLogP4.10
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.60
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide with MolForge

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Related Compounds

N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)cyclopentene-1-carboxamide
CID 42592854
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1H-imidazole-5-carboxamide
CID 72931964
N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 42520313
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)furan-2-carboxamide
CID 42198078
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]thiadiazole-5-carboxamide
CID 42566535
N,N-dimethyl-N'-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N'-(pyridin-3-ylmethyl)butanediamide
CID 42293134
2,6-dimethyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 42292345
1-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-6-oxo-N-(pyridin-3-ylmethyl)-4,5-dihydropyridazine-3-carboxamide
CID 25274827
5-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)pyrazolidine-3-carboxamide
CID 74775024
N-[[(4R)-2,2-dimethyloxan-4-yl]methyl]-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 42291823
N-(2,1,3-benzoxadiazol-4-ylmethyl)-1-[1-[(2-methylphenyl)methyl]piperidin-4-yl]-N-(pyridin-3-ylmethyl)methanamine
CID 42518407
3-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 45203929

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The IUPAC name of 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide (CID 25289387) is 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide.
What is the SMILES notation for 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The canonical SMILES for 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide is Cc1ccccc1CN1CCC(CN(Cc2cccnc2)C(=O)c2snnc2C)CC1.
What is the InChIKey of 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
The InChIKey is ZSOZZCHKHNDJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5OS/c1-18-6-3-4-8-22(18)17-28-12-9-20(10-13-28)15-29(16-21-7-5-11-25-14-21)24(30)23-19(2)26-27-31-23/h3-8,11,14,20H,9-10,12-13,15-17H2,1-2H3.
What are the key properties of 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide?
4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide has a molecular weight of 435.60 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[1-[(2-methylphenyl)methyl]piperidin-4-yl]methyl]-N-(pyridin-3-ylmethyl)thiadiazole-5-carboxamide is sourced from PubChem (CID 25289387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).