2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide

C19H19FN4OS — CID 25123816

IUPAC2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide
SMILESCN(C)Cc1cccc(Nc2sc(-c3ccccc3F)cc2C(N)=O)n1
InChIInChI=1S/C19H19FN4OS/c1-24(2)11-12-6-5-9-17(22-12)23-19-14(18(21)25)10-16(26-19)13-7-3-4-8-15(13)20/h3-10H,11H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyWGXZYGVSFOEXTL-UHFFFAOYSA-N
MW370.45 g/mol
LogP3.85
Rot. Bonds6

About 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide

2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide (PubChem CID 25123816) has the molecular formula C19H19FN4OS and a molecular weight of 370.45 g/mol. Its IUPAC name is 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide
PubChem CID25123816
Molecular FormulaC19H19FN4OS
Molecular Weight370.45 g/mol
Exact Mass370.13
IUPAC Name2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide
SMILESCN(C)Cc1cccc(Nc2sc(-c3ccccc3F)cc2C(N)=O)n1
InChIInChI=1S/C19H19FN4OS/c1-24(2)11-12-6-5-9-17(22-12)23-19-14(18(21)25)10-16(26-19)13-7-3-4-8-15(13)20/h3-10H,11H2,1-2H3,(H2,21,25)(H,22,23)
InChIKeyWGXZYGVSFOEXTL-UHFFFAOYSA-N
XLogP3.85
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide?
The IUPAC name of 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide (CID 25123816) is 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide.
What is the SMILES notation for 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide?
The canonical SMILES for 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide is CN(C)Cc1cccc(Nc2sc(-c3ccccc3F)cc2C(N)=O)n1.
What is the InChIKey of 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide?
The InChIKey is WGXZYGVSFOEXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4OS/c1-24(2)11-12-6-5-9-17(22-12)23-19-14(18(21)25)10-16(26-19)13-7-3-4-8-15(13)20/h3-10H,11H2,1-2H3,(H2,21,25)(H,22,23).
What are the key properties of 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide?
2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide has a molecular weight of 370.45 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(dimethylamino)methyl]-2-pyridinyl]amino]-5-(2-fluorophenyl)thiophene-3-carboxamide is sourced from PubChem (CID 25123816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).