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

C21H17N7OS — CID 53329534

IUPAC6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H17N7OS/c29-19(26-21-28-27-20(30-21)14-4-2-1-3-5-14)18-17(24-15-10-22-12-23-11-15)9-8-16(25-18)13-6-7-13/h1-5,8-13,24H,6-7H2,(H,26,28,29)
InChIKeyLWTLVZYRCFDRCS-UHFFFAOYSA-N
MW415.48 g/mol
LogP4.26
Rot. Bonds6

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

6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (PubChem CID 53329534) has the molecular formula C21H17N7OS and a molecular weight of 415.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
PubChem CID53329534
Molecular FormulaC21H17N7OS
Molecular Weight415.48 g/mol
Exact Mass415.12
IUPAC Name6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide
SMILESO=C(Nc1nnc(-c2ccccc2)s1)c1nc(C2CC2)ccc1Nc1cncnc1
InChIInChI=1S/C21H17N7OS/c29-19(26-21-28-27-20(30-21)14-4-2-1-3-5-14)18-17(24-15-10-22-12-23-11-15)9-8-16(25-18)13-6-7-13/h1-5,8-13,24H,6-7H2,(H,26,28,29)
InChIKeyLWTLVZYRCFDRCS-UHFFFAOYSA-N
XLogP4.26
TPSA105.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.48
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The IUPAC name of 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide (CID 53329534) is 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide.
What is the SMILES notation for 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The canonical SMILES for 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is O=C(Nc1nnc(-c2ccccc2)s1)c1nc(C2CC2)ccc1Nc1cncnc1.
What is the InChIKey of 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
The InChIKey is LWTLVZYRCFDRCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N7OS/c29-19(26-21-28-27-20(30-21)14-4-2-1-3-5-14)18-17(24-15-10-22-12-23-11-15)9-8-16(25-18)13-6-7-13/h1-5,8-13,24H,6-7H2,(H,26,28,29).
What are the key properties of 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide?
6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide has a molecular weight of 415.48 g/mol, XLogP of 4.26, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-N-(5-phenyl-1,3,4-thiadiazol-2-yl)-3-(pyrimidin-5-ylamino)pyridine-2-carboxamide is sourced from PubChem (CID 53329534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).