5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide

C17H16N8O2S — CID 58548319

IUPAC5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C17H16N8O2S/c1-18-15(26)14-17(28-25-24-14)23-16(27)13-12(21-10-6-19-8-20-7-10)5-4-11(22-13)9-2-3-9/h4-9,21H,2-3H2,1H3,(H,18,26)(H,23,27)
InChIKeyVKBCONWRBWOABP-UHFFFAOYSA-N
MW396.44 g/mol
LogP1.96
Rot. Bonds6

About 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide

5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide (PubChem CID 58548319) has the molecular formula C17H16N8O2S and a molecular weight of 396.44 g/mol. Its IUPAC name is 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide.

Molecular Properties

Compound Name5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide
PubChem CID58548319
Molecular FormulaC17H16N8O2S
Molecular Weight396.44 g/mol
Exact Mass396.11
IUPAC Name5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide
SMILESCNC(=O)c1nnsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C17H16N8O2S/c1-18-15(26)14-17(28-25-24-14)23-16(27)13-12(21-10-6-19-8-20-7-10)5-4-11(22-13)9-2-3-9/h4-9,21H,2-3H2,1H3,(H,18,26)(H,23,27)
InChIKeyVKBCONWRBWOABP-UHFFFAOYSA-N
XLogP1.96
TPSA134.68 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 51.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide?
The IUPAC name of 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide (CID 58548319) is 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide.
What is the SMILES notation for 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide?
The canonical SMILES for 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide is CNC(=O)c1nnsc1NC(=O)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide?
The InChIKey is VKBCONWRBWOABP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2S/c1-18-15(26)14-17(28-25-24-14)23-16(27)13-12(21-10-6-19-8-20-7-10)5-4-11(22-13)9-2-3-9/h4-9,21H,2-3H2,1H3,(H,18,26)(H,23,27).
What are the key properties of 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide?
5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 1.96, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-cyclopropyl-3-(pyrimidin-5-ylamino)pyridine-2-carbonyl]amino]-N-methylthiadiazole-4-carboxamide is sourced from PubChem (CID 58548319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).