3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

C14H16N4O2S — CID 11120251

IUPAC3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyCAVCWRXFMNCBCM-UHFFFAOYSA-N
MW304.38 g/mol
LogP2.78
Rot. Bonds3

About 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide

3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 11120251) has the molecular formula C14H16N4O2S and a molecular weight of 304.38 g/mol. Its IUPAC name is 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID11120251
Molecular FormulaC14H16N4O2S
Molecular Weight304.38 g/mol
Exact Mass304.10
IUPAC Name3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1
InChIInChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19)
InChIKeyCAVCWRXFMNCBCM-UHFFFAOYSA-N
XLogP2.78
TPSA83.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 11120251) is 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is CC(C)(C)C(=O)Nc1cccnc1C(=O)Nc1nccs1.
What is the InChIKey of 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is CAVCWRXFMNCBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2S/c1-14(2,3)12(20)17-9-5-4-6-15-10(9)11(19)18-13-16-7-8-21-13/h4-8H,1-3H3,(H,17,20)(H,16,18,19).
What are the key properties of 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide?
3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 304.38 g/mol, XLogP of 2.78, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropanoylamino)-N-(1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 11120251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).