N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide

C12H12BrClN4OS — CID 62179315

IUPACN-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)Nc2ncc(Br)s2)n1
InChIInChI=1S/C12H12BrClN4OS/c1-2-5-15-9-4-3-7(14)10(17-9)11(19)18-12-16-6-8(13)20-12/h3-4,6H,2,5H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyVKYUQCUQNUHSSJ-UHFFFAOYSA-N
MW375.68 g/mol
LogP4.03
Rot. Bonds5

About N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide

N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62179315) has the molecular formula C12H12BrClN4OS and a molecular weight of 375.68 g/mol. Its IUPAC name is N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
PubChem CID62179315
Molecular FormulaC12H12BrClN4OS
Molecular Weight375.68 g/mol
Exact Mass373.96
IUPAC NameN-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)Nc2ncc(Br)s2)n1
InChIInChI=1S/C12H12BrClN4OS/c1-2-5-15-9-4-3-7(14)10(17-9)11(19)18-12-16-6-8(13)20-12/h3-4,6H,2,5H2,1H3,(H,15,17)(H,16,18,19)
InChIKeyVKYUQCUQNUHSSJ-UHFFFAOYSA-N
XLogP4.03
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.68
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-(propylamino)-N-(thiatriazol-5-yl)pyridine-2-carboxamide
CID 114914367
N-(2-bromophenyl)-3-chloro-6-(propylamino)pyridine-2-carboxamide
CID 62165496
3-chloro-N-(6-oxo-1H-pyridazin-3-yl)-6-(propylamino)pyridine-2-carboxamide
CID 116788007
3-chloro-N-(2-iodophenyl)-6-(propylamino)pyridine-2-carboxamide
CID 62167329
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
3-chloro-N-[2-oxo-2-(propylamino)ethyl]-6-(propylamino)pyridine-2-carboxamide
CID 62168552
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
N-(5-bromo-1,3-thiazol-2-yl)-5-chloro-6-(ethylamino)pyridine-3-carboxamide
CID 62179840
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024
3-chloro-6-(propylamino)-N-(thiolan-3-yl)pyridine-2-carboxamide
CID 103064677

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide (CID 62179315) is N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)Nc2ncc(Br)s2)n1.
What is the InChIKey of N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is VKYUQCUQNUHSSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrClN4OS/c1-2-5-15-9-4-3-7(14)10(17-9)11(19)18-12-16-6-8(13)20-12/h3-4,6H,2,5H2,1H3,(H,15,17)(H,16,18,19).
What are the key properties of N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide?
N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 375.68 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-1,3-thiazol-2-yl)-3-chloro-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62179315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).