2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

C17H14FN3OS — CID 1441150

IUPAC2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C17H14FN3OS/c18-14-7-1-2-8-15(14)21-16-13(6-3-9-19-16)17(22)20-11-12-5-4-10-23-12/h1-10H,11H2,(H,19,21)(H,20,22)
InChIKeyZSISLEADAKGSBI-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.96
Rot. Bonds5

About 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide

2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (PubChem CID 1441150) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
PubChem CID1441150
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC Name2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccs1)c1cccnc1Nc1ccccc1F
InChIInChI=1S/C17H14FN3OS/c18-14-7-1-2-8-15(14)21-16-13(6-3-9-19-16)17(22)20-11-12-5-4-10-23-12/h1-10H,11H2,(H,19,21)(H,20,22)
InChIKeyZSISLEADAKGSBI-UHFFFAOYSA-N
XLogP3.96
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 4998221
N-(2-amino-2-methylpropyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 119625766
2-(ethylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 62165958
methyl 2-[[2-(2-fluoroanilino)pyridine-3-carbonyl]amino]acetate
CID 134008874
2-(2,3-dihydro-1H-inden-5-ylamino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 1441146
3-(thiophen-2-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 3237026
2-phenoxy-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 35138227
2-(2-fluoroanilino)-N-[(4-hydroxypyrrolidin-3-yl)methyl]pyridine-3-carboxamide
CID 120946923
N-(2-chlorophenyl)-2-(2-fluoroanilino)pyridine-3-carboxamide
CID 23632658
2-(2-fluoroanilino)-N-[[4-(propan-2-ylcarbamoylamino)phenyl]methyl]pyridine-3-carboxamide
CID 60556369
3-fluoro-N-(thiophen-2-ylmethyl)pyridine-4-carboxamide
CID 115645421
2-(2-fluoroanilino)-N-(2-piperazin-1-ylethyl)pyridine-3-carboxamide
CID 119444821

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide (CID 1441150) is 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccs1)c1cccnc1Nc1ccccc1F.
What is the InChIKey of 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ZSISLEADAKGSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-14-7-1-2-8-15(14)21-16-13(6-3-9-19-16)17(22)20-11-12-5-4-10-23-12/h1-10H,11H2,(H,19,21)(H,20,22).
What are the key properties of 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide?
2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoroanilino)-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 1441150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).