1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

C18H19N7OS — CID 48931738

IUPAC1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3nncs3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H19N7OS/c1-12-10-15(22-16(21-12)13-2-6-19-7-3-13)25-8-4-14(5-9-25)17(26)23-18-24-20-11-27-18/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,23,24,26)
InChIKeyMTZJXIZCKWCHMX-UHFFFAOYSA-N
MW381.47 g/mol
LogP2.55
Rot. Bonds4

About 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (PubChem CID 48931738) has the molecular formula C18H19N7OS and a molecular weight of 381.47 g/mol. Its IUPAC name is 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
PubChem CID48931738
Molecular FormulaC18H19N7OS
Molecular Weight381.47 g/mol
Exact Mass381.14
IUPAC Name1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide
SMILESCc1cc(N2CCC(C(=O)Nc3nncs3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C18H19N7OS/c1-12-10-15(22-16(21-12)13-2-6-19-7-3-13)25-8-4-14(5-9-25)17(26)23-18-24-20-11-27-18/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,23,24,26)
InChIKeyMTZJXIZCKWCHMX-UHFFFAOYSA-N
XLogP2.55
TPSA96.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.47
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The IUPAC name of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide (CID 48931738) is 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide.
What is the SMILES notation for 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The canonical SMILES for 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is Cc1cc(N2CCC(C(=O)Nc3nncs3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
The InChIKey is MTZJXIZCKWCHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N7OS/c1-12-10-15(22-16(21-12)13-2-6-19-7-3-13)25-8-4-14(5-9-25)17(26)23-18-24-20-11-27-18/h2-3,6-7,10-11,14H,4-5,8-9H2,1H3,(H,23,24,26).
What are the key properties of 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide?
1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide has a molecular weight of 381.47 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-pyridin-4-ylpyrimidin-4-yl)-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide is sourced from PubChem (CID 48931738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).