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

C17H17N5OS — CID 86804654

IUPAC4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)NCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H17N5OS/c1-22(2)13-5-8-19-14(9-13)17(23)20-10-16-21-15(11-24-16)12-3-6-18-7-4-12/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyNLILXNVVXBZPSA-UHFFFAOYSA-N
MW339.42 g/mol
LogP2.60
Rot. Bonds5

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

4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 86804654) has the molecular formula C17H17N5OS and a molecular weight of 339.42 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID86804654
Molecular FormulaC17H17N5OS
Molecular Weight339.42 g/mol
Exact Mass339.12
IUPAC Name4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCN(C)c1ccnc(C(=O)NCc2nc(-c3ccncc3)cs2)c1
InChIInChI=1S/C17H17N5OS/c1-22(2)13-5-8-19-14(9-13)17(23)20-10-16-21-15(11-24-16)12-3-6-18-7-4-12/h3-9,11H,10H2,1-2H3,(H,20,23)
InChIKeyNLILXNVVXBZPSA-UHFFFAOYSA-N
XLogP2.60
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.42
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,5-dimethoxy-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 110318175
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]pyridine-4-carboxamide
CID 110393681
4-(dimethylamino)-N-(2-oxo-2-thiophen-2-ylethyl)pyridine-2-carboxamide
CID 86804656
3-[methoxy(methyl)sulfamoyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]benzamide
CID 56585528
tert-butyl N-[4-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methylcarbamoyl]phenyl]carbamate
CID 56585717
2-[methyl(thiophen-2-ylsulfonyl)amino]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]acetamide
CID 56585871
6-anilino-N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]pyrimidine-4-carboxamide
CID 167880403
N-[[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]methyl]-1-propylpyrazole-3-carboxamide
CID 75537700
3-phenyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]propanamide
CID 110318189
5-[(2,4-dimethylphenoxy)methyl]-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]furan-2-carboxamide
CID 56585968
(4-pyridin-4-yl-1,3-thiazol-2-yl)methylhydrazine
CID 116970238
1-(3-chlorophenyl)-2,5-dimethyl-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyrrole-3-carboxamide
CID 56586091

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide (CID 86804654) is 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is CN(C)c1ccnc(C(=O)NCc2nc(-c3ccncc3)cs2)c1.
What is the InChIKey of 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is NLILXNVVXBZPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5OS/c1-22(2)13-5-8-19-14(9-13)17(23)20-10-16-21-15(11-24-16)12-3-6-18-7-4-12/h3-9,11H,10H2,1-2H3,(H,20,23).
What are the key properties of 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide?
4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 339.42 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 86804654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).