2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide

C19H18FN3OS — CID 94161744

IUPAC2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccn1
InChIInChI=1S/C19H18FN3OS/c1-23(2)17-12-14(9-10-21-17)19(24)22-18(16-4-3-11-25-16)13-5-7-15(20)8-6-13/h3-12,18H,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyJSCVBTXUBXZMLD-SFHVURJKSA-N
MW355.44 g/mol
LogP3.87
Rot. Bonds5

About 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide

2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide (PubChem CID 94161744) has the molecular formula C19H18FN3OS and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
PubChem CID94161744
Molecular FormulaC19H18FN3OS
Molecular Weight355.44 g/mol
Exact Mass355.12
IUPAC Name2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide
SMILESCN(C)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccn1
InChIInChI=1S/C19H18FN3OS/c1-23(2)17-12-14(9-10-21-17)19(24)22-18(16-4-3-11-25-16)13-5-7-15(20)8-6-13/h3-12,18H,1-2H3,(H,22,24)/t18-/m0/s1
InChIKeyJSCVBTXUBXZMLD-SFHVURJKSA-N
XLogP3.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46565128
N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-2-carboxamide
CID 25435351
N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]acetamide
CID 41099331
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-4-methylsulfonylbenzamide
CID 46566188
2-(dimethylamino)-N-[[1-(hydroxymethyl)cyclobutyl]-thiophen-2-ylmethyl]pyridine-4-carboxamide
CID 138036214
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 51207018
N-[(4-fluorophenyl)-thiophen-2-ylmethyl]-3-(tetrazol-1-yl)benzamide
CID 46565137
3,5-difluoro-N-[(S)-phenyl(thiophen-2-yl)methyl]benzamide
CID 8854012
4-(difluoromethoxy)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 43021916
2-fluoro-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46601354
4-(acetamidomethyl)-N-[(4-fluorophenyl)-thiophen-2-ylmethyl]benzamide
CID 46564866
4-amino-N-[(R)-(4-fluorophenyl)-thiophen-2-ylmethyl]-3-nitrobenzamide
CID 41263224

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide (CID 94161744) is 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide is CN(C)c1cc(C(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)ccn1.
What is the InChIKey of 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
The InChIKey is JSCVBTXUBXZMLD-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18FN3OS/c1-23(2)17-12-14(9-10-21-17)19(24)22-18(16-4-3-11-25-16)13-5-7-15(20)8-6-13/h3-12,18H,1-2H3,(H,22,24)/t18-/m0/s1.
What are the key properties of 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide?
2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-[(S)-(4-fluorophenyl)-thiophen-2-ylmethyl]pyridine-4-carboxamide is sourced from PubChem (CID 94161744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).