3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide

C13H15FN4OS — CID 105385242

IUPAC3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)N(C)Cc2csc(C)n2)c1F
InChIInChI=1S/C13H15FN4OS/c1-8-17-9(7-20-8)6-18(3)13(19)10-4-5-16-12(15-2)11(10)14/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyBTSICJIKVPRMNG-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.30
Rot. Bonds4

About 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide

3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide (PubChem CID 105385242) has the molecular formula C13H15FN4OS and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
PubChem CID105385242
Molecular FormulaC13H15FN4OS
Molecular Weight294.36 g/mol
Exact Mass294.10
IUPAC Name3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
SMILESCNc1nccc(C(=O)N(C)Cc2csc(C)n2)c1F
InChIInChI=1S/C13H15FN4OS/c1-8-17-9(7-20-8)6-18(3)13(19)10-4-5-16-12(15-2)11(10)14/h4-5,7H,6H2,1-3H3,(H,15,16)
InChIKeyBTSICJIKVPRMNG-UHFFFAOYSA-N
XLogP2.30
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 55134622
2-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47442970
2-(aminomethyl)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114326394
N-[[1-(dimethylamino)cyclobutyl]methyl]-3-fluoro-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105420387
5-bromo-N,2-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 65309481
2-fluoro-6-hydroxy-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 104917136
3-bromo-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-2-carboxamide
CID 107518848
2,5-dichloro-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide
CID 114918306
4-(dimethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 47451144
3-fluoro-N-(4-fluorophenyl)-N-methyl-2-(methylamino)pyridine-4-carboxamide
CID 105385402
5-chloro-2-(ethylamino)-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]benzamide
CID 62179422
N-[2-[[N,N'-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]carbamimidoyl]amino]ethyl]-2-fluorobenzamide
CID 109422706

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide (CID 105385242) is 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide is CNc1nccc(C(=O)N(C)Cc2csc(C)n2)c1F.
What is the InChIKey of 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
The InChIKey is BTSICJIKVPRMNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN4OS/c1-8-17-9(7-20-8)6-18(3)13(19)10-4-5-16-12(15-2)11(10)14/h4-5,7H,6H2,1-3H3,(H,15,16).
What are the key properties of 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide?
3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide has a molecular weight of 294.36 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-methyl-2-(methylamino)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-4-carboxamide is sourced from PubChem (CID 105385242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).