N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide

C18H13BrN2OS — CID 18270594

IUPACN-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccncc1
InChIInChI=1S/C18H13BrN2OS/c19-14-1-5-16(6-2-14)23-17-7-3-15(4-8-17)21-18(22)13-9-11-20-12-10-13/h1-12H,(H,21,22)
InChIKeyVJYNYDCRXYCDIG-UHFFFAOYSA-N
MW385.29 g/mol
LogP5.25
Rot. Bonds4

About N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide

N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide (PubChem CID 18270594) has the molecular formula C18H13BrN2OS and a molecular weight of 385.29 g/mol. Its IUPAC name is N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide
PubChem CID18270594
Molecular FormulaC18H13BrN2OS
Molecular Weight385.29 g/mol
Exact Mass383.99
IUPAC NameN-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide
SMILESO=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccncc1
InChIInChI=1S/C18H13BrN2OS/c19-14-1-5-16(6-2-14)23-17-7-3-15(4-8-17)21-18(22)13-9-11-20-12-10-13/h1-12H,(H,21,22)
InChIKeyVJYNYDCRXYCDIG-UHFFFAOYSA-N
XLogP5.25
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.29
LogP ≤ 55.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-[(4-bromophenyl)carbamoyl]phenyl] thiohypochlorite
CID 21148482
N-(3,4-dibromophenyl)pyridine-4-carboxamide
CID 4139948
1-N,4-N-bis(4-pyridin-4-ylphenyl)benzene-1,4-dicarboxamide
CID 171423296
1-(4-bromophenyl)-3-(pyridine-4-carbonylamino)thiourea
CID 5043527
methanol;N-pyridin-4-ylpyridine-4-carboxamide
CID 158472241
ethane;4-nitro-N-(4-pyridin-4-ylsulfanylphenyl)benzamide
CID 143657426
N-(4-bromophenyl)-5-hydroxypyridine-3-carboxamide
CID 63851687
1-(4-bromophenyl)-3-pyridin-4-ylurea
CID 677050
4-chloro-N-[4-(4-chlorophenyl)sulfanylphenyl]benzamide
CID 12734406
4-bromo-N-[4-(carbamoylamino)phenyl]benzamide
CID 33151789
4-(pyridine-4-carbonylamino)benzenesulfonic acid
CID 25248911
N-(4-methylphenyl)pyridine-4-carboxamide;propane
CID 142028273

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide?
The IUPAC name of N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide (CID 18270594) is N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide.
What is the SMILES notation for N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide?
The canonical SMILES for N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide is O=C(Nc1ccc(Sc2ccc(Br)cc2)cc1)c1ccncc1.
What is the InChIKey of N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide?
The InChIKey is VJYNYDCRXYCDIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13BrN2OS/c19-14-1-5-16(6-2-14)23-17-7-3-15(4-8-17)21-18(22)13-9-11-20-12-10-13/h1-12H,(H,21,22).
What are the key properties of N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide?
N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide has a molecular weight of 385.29 g/mol, XLogP of 5.25, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-bromophenyl)sulfanylphenyl]pyridine-4-carboxamide is sourced from PubChem (CID 18270594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).