N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide

C17H14N2OS — CID 573745

IUPACN-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cccs1
InChIInChI=1S/C17H14N2OS/c20-17(16-2-1-11-21-16)19-15-5-3-13(4-6-15)12-14-7-9-18-10-8-14/h1-11H,12H2,(H,19,20)
InChIKeyKZAYFOQERIRWFI-UHFFFAOYSA-N
MW294.38 g/mol
LogP3.99
Rot. Bonds4

About N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide

N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide (PubChem CID 573745) has the molecular formula C17H14N2OS and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
PubChem CID573745
Molecular FormulaC17H14N2OS
Molecular Weight294.38 g/mol
Exact Mass294.08
IUPAC NameN-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide
SMILESO=C(Nc1ccc(Cc2ccncc2)cc1)c1cccs1
InChIInChI=1S/C17H14N2OS/c20-17(16-2-1-11-21-16)19-15-5-3-13(4-6-15)12-14-7-9-18-10-8-14/h1-11H,12H2,(H,19,20)
InChIKeyKZAYFOQERIRWFI-UHFFFAOYSA-N
XLogP3.99
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide (CID 573745) is N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide is O=C(Nc1ccc(Cc2ccncc2)cc1)c1cccs1.
What is the InChIKey of N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
The InChIKey is KZAYFOQERIRWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2OS/c20-17(16-2-1-11-21-16)19-15-5-3-13(4-6-15)12-14-7-9-18-10-8-14/h1-11H,12H2,(H,19,20).
What are the key properties of N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide?
N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethyl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 573745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).