4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide

C19H19N3OS — CID 121177628

IUPAC4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cccnc2-c2ccsc2)cc1
InChIInChI=1S/C19H19N3OS/c1-22(2)17-7-5-14(6-8-17)19(23)21-12-15-4-3-10-20-18(15)16-9-11-24-13-16/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyMSLCPTMCICAVPK-UHFFFAOYSA-N
MW337.45 g/mol
LogP3.81
Rot. Bonds5

About 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide

4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide (PubChem CID 121177628) has the molecular formula C19H19N3OS and a molecular weight of 337.45 g/mol. Its IUPAC name is 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide.

Molecular Properties

Compound Name4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
PubChem CID121177628
Molecular FormulaC19H19N3OS
Molecular Weight337.45 g/mol
Exact Mass337.12
IUPAC Name4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide
SMILESCN(C)c1ccc(C(=O)NCc2cccnc2-c2ccsc2)cc1
InChIInChI=1S/C19H19N3OS/c1-22(2)17-7-5-14(6-8-17)19(23)21-12-15-4-3-10-20-18(15)16-9-11-24-13-16/h3-11,13H,12H2,1-2H3,(H,21,23)
InChIKeyMSLCPTMCICAVPK-UHFFFAOYSA-N
XLogP3.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(dimethylamino)-N-[[2-(3-methylphenyl)-3-pyridinyl]methyl]benzamide
CID 53148180
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]naphthalene-2-carboxamide
CID 121177783
6-ethoxy-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 91630264
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1H-indole-6-carboxamide
CID 121177736
6-(2-methylpropoxy)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyridine-3-carboxamide
CID 121177832
5-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 91630166
4-methyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 91630266
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]quinoxaline-2-carboxamide
CID 121177637
4-bromo-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 121177843
1,3,5-trimethyl-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]pyrazole-4-carboxamide
CID 91630267
N-[(2-thiophen-3-yl-3-pyridinyl)methyl]-2-(trifluoromethyl)benzamide
CID 91630191
4-(dimethylamino)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 110473275

Frequently Asked Questions

What is the IUPAC name of 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The IUPAC name of 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide (CID 121177628) is 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide.
What is the SMILES notation for 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The canonical SMILES for 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide is CN(C)c1ccc(C(=O)NCc2cccnc2-c2ccsc2)cc1.
What is the InChIKey of 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
The InChIKey is MSLCPTMCICAVPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3OS/c1-22(2)17-7-5-14(6-8-17)19(23)21-12-15-4-3-10-20-18(15)16-9-11-24-13-16/h3-11,13H,12H2,1-2H3,(H,21,23).
What are the key properties of 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide?
4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide has a molecular weight of 337.45 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(dimethylamino)-N-[(2-thiophen-3-yl-3-pyridinyl)methyl]benzamide is sourced from PubChem (CID 121177628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).