5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

C21H20FN3OS — CID 46580563

IUPAC5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H20FN3OS/c22-17-6-4-16(5-7-17)18-8-9-19(27-18)21(26)24-14-15-3-10-20(23-13-15)25-11-1-2-12-25/h3-10,13H,1-2,11-12,14H2,(H,24,26)
InChIKeyGPFCFBZUWGNEOY-UHFFFAOYSA-N
MW381.48 g/mol
LogP4.48
Rot. Bonds5

About 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide

5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (PubChem CID 46580563) has the molecular formula C21H20FN3OS and a molecular weight of 381.48 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
PubChem CID46580563
Molecular FormulaC21H20FN3OS
Molecular Weight381.48 g/mol
Exact Mass381.13
IUPAC Name5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2)nc1)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C21H20FN3OS/c22-17-6-4-16(5-7-17)18-8-9-19(27-18)21(26)24-14-15-3-10-20(23-13-15)25-11-1-2-12-25/h3-10,13H,1-2,11-12,14H2,(H,24,26)
InChIKeyGPFCFBZUWGNEOY-UHFFFAOYSA-N
XLogP4.48
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide
CID 51081411
5-(6-morpholin-4-yl-3-pyridinyl)-N-(pyridin-3-ylmethyl)thiophene-2-carboxamide
CID 117084261
5-(6-morpholin-4-yl-3-pyridinyl)-N-[[3-(trifluoromethyl)phenyl]methyl]thiophene-2-carboxamide
CID 117088244
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-2-[(4-fluorophenyl)methylsulfanyl]pyridine-3-carboxamide
CID 55972508
4-(4-fluorophenyl)-4-oxo-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]butanamide
CID 37483127
N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 51116637
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-5-[2-(methanesulfonamido)ethyl]thiophene-2-carboxamide
CID 47043391
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3,4-difluorobenzamide
CID 53149087
5-chloro-2-fluoro-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]benzamide
CID 71842572
N-[[6-(azepan-1-yl)-3-pyridinyl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 47043334
5-(4-fluorophenyl)-N-(pyridin-2-ylmethyl)thiophene-2-carboxamide
CID 32977659
4-ethyl-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]benzamide
CID 38528026

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide (CID 46580563) is 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is O=C(NCc1ccc(N2CCCC2)nc1)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
The InChIKey is GPFCFBZUWGNEOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3OS/c22-17-6-4-16(5-7-17)18-8-9-19(27-18)21(26)24-14-15-3-10-20(23-13-15)25-11-1-2-12-25/h3-10,13H,1-2,11-12,14H2,(H,24,26).
What are the key properties of 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide?
5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46580563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).