N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide

C16H19N3O2S — CID 119059811

IUPACN-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2nccs2)C2CC2)c(=O)n(C)c1C
InChIInChI=1S/C16H19N3O2S/c1-10-8-13(15(20)18(3)11(10)2)16(21)19(12-4-5-12)9-14-17-6-7-22-14/h6-8,12H,4-5,9H2,1-3H3
InChIKeyIMWKOPUTOXHMSY-UHFFFAOYSA-N
MW317.41 g/mol
LogP2.26
Rot. Bonds4

About N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide

N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 119059811) has the molecular formula C16H19N3O2S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
PubChem CID119059811
Molecular FormulaC16H19N3O2S
Molecular Weight317.41 g/mol
Exact Mass317.12
IUPAC NameN-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(C(=O)N(Cc2nccs2)C2CC2)c(=O)n(C)c1C
InChIInChI=1S/C16H19N3O2S/c1-10-8-13(15(20)18(3)11(10)2)16(21)19(12-4-5-12)9-14-17-6-7-22-14/h6-8,12H,4-5,9H2,1-3H3
InChIKeyIMWKOPUTOXHMSY-UHFFFAOYSA-N
XLogP2.26
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide (CID 119059811) is N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide is Cc1cc(C(=O)N(Cc2nccs2)C2CC2)c(=O)n(C)c1C.
What is the InChIKey of N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is IMWKOPUTOXHMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2S/c1-10-8-13(15(20)18(3)11(10)2)16(21)19(12-4-5-12)9-14-17-6-7-22-14/h6-8,12H,4-5,9H2,1-3H3.
What are the key properties of N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide?
N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 2.26, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1,5,6-trimethyl-2-oxo-N-(1,3-thiazol-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 119059811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).