6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

C19H15N9OS — CID 53329708

IUPAC6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(-c2cnccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C19H15N9OS/c29-17(26-19-28-27-18(30-19)15-9-20-5-6-23-15)16-14(24-12-7-21-10-22-8-12)4-3-13(25-16)11-1-2-11/h3-11,24H,1-2H2,(H,26,28,29)
InChIKeyGUJAGBCPTYSXTK-UHFFFAOYSA-N
MW417.46 g/mol
LogP3.05
Rot. Bonds6

About 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide

6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329708) has the molecular formula C19H15N9OS and a molecular weight of 417.46 g/mol. Its IUPAC name is 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329708
Molecular FormulaC19H15N9OS
Molecular Weight417.46 g/mol
Exact Mass417.11
IUPAC Name6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(-c2cnccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C19H15N9OS/c29-17(26-19-28-27-18(30-19)15-9-20-5-6-23-15)16-14(24-12-7-21-10-22-8-12)4-3-13(25-16)11-1-2-11/h3-11,24H,1-2H2,(H,26,28,29)
InChIKeyGUJAGBCPTYSXTK-UHFFFAOYSA-N
XLogP3.05
TPSA131.36 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.46
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329708) is 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1nnc(-c2cnccn2)s1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is GUJAGBCPTYSXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N9OS/c29-17(26-19-28-27-18(30-19)15-9-20-5-6-23-15)16-14(24-12-7-21-10-22-8-12)4-3-13(25-16)11-1-2-11/h3-11,24H,1-2H2,(H,26,28,29).
What are the key properties of 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 417.46 g/mol, XLogP of 3.05, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(5-pyrazin-2-yl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).