N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide

C17H13BrN2OS — CID 11610434

IUPACN-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C17H13BrN2OS/c18-14-3-1-2-12(10-14)11-20-17(21)16-5-4-15(22-16)13-6-8-19-9-7-13/h1-10H,11H2,(H,20,21)
InChIKeyVWRQAMQOGFMLDS-UHFFFAOYSA-N
MW373.28 g/mol
LogP4.50
Rot. Bonds4

About N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide

N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide (PubChem CID 11610434) has the molecular formula C17H13BrN2OS and a molecular weight of 373.28 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
PubChem CID11610434
Molecular FormulaC17H13BrN2OS
Molecular Weight373.28 g/mol
Exact Mass371.99
IUPAC NameN-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
SMILESO=C(NCc1cccc(Br)c1)c1ccc(-c2ccncc2)s1
InChIInChI=1S/C17H13BrN2OS/c18-14-3-1-2-12(10-14)11-20-17(21)16-5-4-15(22-16)13-6-8-19-9-7-13/h1-10H,11H2,(H,20,21)
InChIKeyVWRQAMQOGFMLDS-UHFFFAOYSA-N
XLogP4.50
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-carbamoylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 123882296
N-[(4-methylphenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11536859
N-[2-(3-methylphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11616767
N-[(3-carbamoylphenyl)methyl]-5-(3,5-dichlorophenyl)thiophene-2-carboxamide
CID 52680419
N-[2-(3-methoxyphenyl)ethyl]-5-pyridin-4-ylthiophene-2-carboxamide
CID 11702829
2-(3-bromophenyl)-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 112993174
5-[4-(benzylcarbamoyl)phenyl]-N-hydroxythiophene-2-carboxamide
CID 58968960
N-[(3-bromophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 171778314
N-[(3-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61410075
N-[(3-aminophenyl)methyl]-5-(6-amino-2-pyridinyl)thiophene-2-carboxamide
CID 59849628
5-(4-bromophenyl)-N-[[4-(methylcarbamoyl)phenyl]methyl]thiophene-2-carboxamide
CID 38496186
N-[3-[[(5-methylthiophene-2-carbonyl)amino]methyl]phenyl]pyridine-4-carboxamide
CID 55904354

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The IUPAC name of N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide (CID 11610434) is N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The canonical SMILES for N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide is O=C(NCc1cccc(Br)c1)c1ccc(-c2ccncc2)s1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
The InChIKey is VWRQAMQOGFMLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrN2OS/c18-14-3-1-2-12(10-14)11-20-17(21)16-5-4-15(22-16)13-6-8-19-9-7-13/h1-10H,11H2,(H,20,21).
What are the key properties of N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide?
N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide has a molecular weight of 373.28 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-5-pyridin-4-ylthiophene-2-carboxamide is sourced from PubChem (CID 11610434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).