4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

C16H17N7O2S — CID 166163011

IUPAC4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(N(C)C)nc2)s1
InChIInChI=1S/C16H17N7O2S/c1-9-5-11(10-6-18-14(19-7-10)23(2)3)12(8-17-9)13(24)20-15-21-22-16(25-4)26-15/h5-8H,1-4H3,(H,20,21,24)
InChIKeyUYGVORXINPMEMV-UHFFFAOYSA-N
MW371.43 g/mol
LogP2.03
Rot. Bonds5

About 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide

4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (PubChem CID 166163011) has the molecular formula C16H17N7O2S and a molecular weight of 371.43 g/mol. Its IUPAC name is 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
PubChem CID166163011
Molecular FormulaC16H17N7O2S
Molecular Weight371.43 g/mol
Exact Mass371.12
IUPAC Name4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide
SMILESCOc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(N(C)C)nc2)s1
InChIInChI=1S/C16H17N7O2S/c1-9-5-11(10-6-18-14(19-7-10)23(2)3)12(8-17-9)13(24)20-15-21-22-16(25-4)26-15/h5-8H,1-4H3,(H,20,21,24)
InChIKeyUYGVORXINPMEMV-UHFFFAOYSA-N
XLogP2.03
TPSA106.02 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The IUPAC name of 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide (CID 166163011) is 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The canonical SMILES for 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is COc1nnc(NC(=O)c2cnc(C)cc2-c2cnc(N(C)C)nc2)s1.
What is the InChIKey of 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
The InChIKey is UYGVORXINPMEMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N7O2S/c1-9-5-11(10-6-18-14(19-7-10)23(2)3)12(8-17-9)13(24)20-15-21-22-16(25-4)26-15/h5-8H,1-4H3,(H,20,21,24).
What are the key properties of 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide?
4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide has a molecular weight of 371.43 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(dimethylamino)pyrimidin-5-yl]-N-(5-methoxy-1,3,4-thiadiazol-2-yl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 166163011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).