4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

C16H13ClN4OS — CID 24820953

IUPAC4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cc(-c2ccc(Cl)nc2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C16H13ClN4OS/c1-9-5-12(11-3-4-14(17)18-7-11)6-13(19-9)15(22)21-16-20-10(2)8-23-16/h3-8H,1-2H3,(H,20,21,22)
InChIKeyFNHCQEJURXIQHJ-UHFFFAOYSA-N
MW344.83 g/mol
LogP4.12
Rot. Bonds3

About 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide

4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (PubChem CID 24820953) has the molecular formula C16H13ClN4OS and a molecular weight of 344.83 g/mol. Its IUPAC name is 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
PubChem CID24820953
Molecular FormulaC16H13ClN4OS
Molecular Weight344.83 g/mol
Exact Mass344.05
IUPAC Name4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
SMILESCc1cc(-c2ccc(Cl)nc2)cc(C(=O)Nc2nc(C)cs2)n1
InChIInChI=1S/C16H13ClN4OS/c1-9-5-12(11-3-4-14(17)18-7-11)6-13(19-9)15(22)21-16-20-10(2)8-23-16/h3-8H,1-2H3,(H,20,21,22)
InChIKeyFNHCQEJURXIQHJ-UHFFFAOYSA-N
XLogP4.12
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

4-(4-fluorophenyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820774
4-(4-cyanophenyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820973
6-methyl-4-(2-methyl-1,3-thiazol-5-yl)-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 175992303
4-(2-cyano-6-methyl-4-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820891
4-(5-fluoro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 24820773
2-N,6-N-bis(4-methyl-1,3-thiazol-2-yl)pyridine-2,6-dicarboxamide
CID 19684989
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide
CID 171091379
5,6-dichloro-N-(4-methyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 7959065
2-bromo-4-chloro-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 103763238
N-(4-methyl-1,3-thiazol-2-yl)-4-pyrimidin-5-ylbenzamide
CID 56857360
2-chloro-5-methylsulfanyl-N-(4-methyl-1,3-thiazol-2-yl)benzamide
CID 973569
4-chloro-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-5-carboxamide
CID 47255361

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide (CID 24820953) is 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is Cc1cc(-c2ccc(Cl)nc2)cc(C(=O)Nc2nc(C)cs2)n1.
What is the InChIKey of 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
The InChIKey is FNHCQEJURXIQHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClN4OS/c1-9-5-12(11-3-4-14(17)18-7-11)6-13(19-9)15(22)21-16-20-10(2)8-23-16/h3-8H,1-2H3,(H,20,21,22).
What are the key properties of 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide?
4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide has a molecular weight of 344.83 g/mol, XLogP of 4.12, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-3-pyridinyl)-6-methyl-N-(4-methyl-1,3-thiazol-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 24820953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).