N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide

C17H14FN3OS — CID 113026990

IUPACN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2F)cn1)c1cccs1
InChIInChI=1S/C17H14FN3OS/c18-14-5-2-1-4-12(14)10-19-13-7-8-16(20-11-13)21-17(22)15-6-3-9-23-15/h1-9,11,19H,10H2,(H,20,21,22)
InChIKeyIQNFOPZTIIAHSG-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.15
Rot. Bonds5

About N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide

N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide (PubChem CID 113026990) has the molecular formula C17H14FN3OS and a molecular weight of 327.38 g/mol. Its IUPAC name is N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
PubChem CID113026990
Molecular FormulaC17H14FN3OS
Molecular Weight327.38 g/mol
Exact Mass327.08
IUPAC NameN-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(NCc2ccccc2F)cn1)c1cccs1
InChIInChI=1S/C17H14FN3OS/c18-14-5-2-1-4-12(14)10-19-13-7-8-16(20-11-13)21-17(22)15-6-3-9-23-15/h1-9,11,19H,10H2,(H,20,21,22)
InChIKeyIQNFOPZTIIAHSG-UHFFFAOYSA-N
XLogP4.15
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 ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2-chlorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113027177
2-fluoro-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]benzamide
CID 113026995
N-[6-[(2-fluorobenzoyl)amino]-3-pyridinyl]thiophene-2-carboxamide
CID 1449346
2-(4-chlorophenyl)-N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]acetamide
CID 113027010
N-[5-(furan-2-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113026241
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-methoxybenzamide
CID 113026998
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]cyclobutanecarboxamide
CID 113027038
N-[5-[(3,4-dimethoxyphenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide
CID 113029060
N-[5-[4-(trifluoromethyl)anilino]-2-pyridinyl]thiophene-2-carboxamide
CID 113034907
N-[6-(thiophene-2-carbonylamino)-3-pyridinyl]pyridine-4-carboxamide
CID 1449478
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]-2-(4-methoxyphenyl)acetamide
CID 113027011

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The IUPAC name of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide (CID 113026990) is N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The canonical SMILES for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide is O=C(Nc1ccc(NCc2ccccc2F)cn1)c1cccs1.
What is the InChIKey of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
The InChIKey is IQNFOPZTIIAHSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3OS/c18-14-5-2-1-4-12(14)10-19-13-7-8-16(20-11-13)21-17(22)15-6-3-9-23-15/h1-9,11,19H,10H2,(H,20,21,22).
What are the key properties of N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide?
N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 4.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2-fluorophenyl)methylamino]-2-pyridinyl]thiophene-2-carboxamide is sourced from PubChem (CID 113026990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).