4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide

C19H16FN3O2S — CID 59856937

IUPAC4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C19H16FN3O2S/c20-14-3-1-12(2-4-14)7-9-23-19(25)17-6-5-16(26-17)13-8-10-22-15(11-13)18(21)24/h1-6,8,10-11H,7,9H2,(H2,21,24)(H,23,25)
InChIKeyFECBFQAYYZZGAW-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.02
Rot. Bonds6

About 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide

4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide (PubChem CID 59856937) has the molecular formula C19H16FN3O2S and a molecular weight of 369.42 g/mol. Its IUPAC name is 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
PubChem CID59856937
Molecular FormulaC19H16FN3O2S
Molecular Weight369.42 g/mol
Exact Mass369.09
IUPAC Name4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide
SMILESNC(=O)c1cc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)ccn1
InChIInChI=1S/C19H16FN3O2S/c20-14-3-1-12(2-4-14)7-9-23-19(25)17-6-5-16(26-17)13-8-10-22-15(11-13)18(21)24/h1-6,8,10-11H,7,9H2,(H2,21,24)(H,23,25)
InChIKeyFECBFQAYYZZGAW-UHFFFAOYSA-N
XLogP3.02
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-fluorophenyl)-N-(2-pyridin-3-ylethyl)thiophene-2-carboxamide
CID 24661243
5-(4-carbamoylphenyl)-N-[2-(4-hydroxyphenyl)ethyl]thiophene-2-carboxamide
CID 117087857
5-(aminomethyl)-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 82171998
5-chloro-N-[2-(4-fluorophenyl)ethyl]thiophene-2-carboxamide
CID 9392714
N-[2-(4-fluorophenyl)ethyl]-4-[2-(4-fluorophenyl)ethylamino]pyridine-2-carboxamide
CID 109214099
N-[2-(4-ethoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11638903
5-(4-fluorophenyl)-N-[2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 18111307
4-(tert-butylamino)-N-[2-(4-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214110
N-[2-(4-hydroxyphenyl)ethyl]-5-phenylthiophene-2-carboxamide
CID 117089481
2-N-[2-(4-fluorophenyl)ethyl]-4-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087697
4-N-[2-(4-fluorophenyl)ethyl]-2-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086566
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767

Frequently Asked Questions

What is the IUPAC name of 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide?
The IUPAC name of 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide (CID 59856937) is 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide.
What is the SMILES notation for 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide?
The canonical SMILES for 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide is NC(=O)c1cc(-c2ccc(C(=O)NCCc3ccc(F)cc3)s2)ccn1.
What is the InChIKey of 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide?
The InChIKey is FECBFQAYYZZGAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN3O2S/c20-14-3-1-12(2-4-14)7-9-23-19(25)17-6-5-16(26-17)13-8-10-22-15(11-13)18(21)24/h1-6,8,10-11H,7,9H2,(H2,21,24)(H,23,25).
What are the key properties of 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide?
4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[2-(4-fluorophenyl)ethylcarbamoyl]thiophen-2-yl]pyridine-2-carboxamide is sourced from PubChem (CID 59856937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).