4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide

C17H18N4OS — CID 86804697

IUPAC4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)c3cc(N(C)C)ccn3)cc2s1
InChIInChI=1S/C17H18N4OS/c1-11-19-14-6-5-13(10-16(14)23-11)21(4)17(22)15-9-12(20(2)3)7-8-18-15/h5-10H,1-4H3
InChIKeyNQBFWIMLNSSJGI-UHFFFAOYSA-N
MW326.43 g/mol
LogP3.34
Rot. Bonds3

About 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide

4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide (PubChem CID 86804697) has the molecular formula C17H18N4OS and a molecular weight of 326.43 g/mol. Its IUPAC name is 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
PubChem CID86804697
Molecular FormulaC17H18N4OS
Molecular Weight326.43 g/mol
Exact Mass326.12
IUPAC Name4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide
SMILESCc1nc2ccc(N(C)C(=O)c3cc(N(C)C)ccn3)cc2s1
InChIInChI=1S/C17H18N4OS/c1-11-19-14-6-5-13(10-16(14)23-11)21(4)17(22)15-9-12(20(2)3)7-8-18-15/h5-10H,1-4H3
InChIKeyNQBFWIMLNSSJGI-UHFFFAOYSA-N
XLogP3.34
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.43
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide (CID 86804697) is 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide is Cc1nc2ccc(N(C)C(=O)c3cc(N(C)C)ccn3)cc2s1.
What is the InChIKey of 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
The InChIKey is NQBFWIMLNSSJGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-11-19-14-6-5-13(10-16(14)23-11)21(4)17(22)15-9-12(20(2)3)7-8-18-15/h5-10H,1-4H3.
What are the key properties of 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide?
4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide has a molecular weight of 326.43 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-methyl-N-(2-methyl-1,3-benzothiazol-6-yl)pyridine-2-carboxamide is sourced from PubChem (CID 86804697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).