N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide

C14H14N4OS — CID 24705827

IUPACN-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(N)=S)cn2)cc1
InChIInChI=1S/C14H14N4OS/c1-9(19)17-11-3-5-12(6-4-11)18-13-7-2-10(8-16-13)14(15)20/h2-8H,1H3,(H2,15,20)(H,16,18)(H,17,19)
InChIKeyKMCCLNMSXUOLTQ-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.42
Rot. Bonds4

About N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide

N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide (PubChem CID 24705827) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide
PubChem CID24705827
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC NameN-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccc(C(N)=S)cn2)cc1
InChIInChI=1S/C14H14N4OS/c1-9(19)17-11-3-5-12(6-4-11)18-13-7-2-10(8-16-13)14(15)20/h2-8H,1H3,(H2,15,20)(H,16,18)(H,17,19)
InChIKeyKMCCLNMSXUOLTQ-UHFFFAOYSA-N
XLogP2.42
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

6-(4-acetamidoanilino)-N-(4-fluorophenyl)pyridine-3-carboxamide
CID 109163310
N-(4-acetamidophenyl)-6-(4-cyanoanilino)pyridine-3-carboxamide
CID 109164577
6-(4-acetamidoanilino)-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109164185
6-(4-aminoanilino)pyridine-3-carboxamide
CID 24711286
6-(3,4,5-trifluoroanilino)pyridine-3-carbothioamide
CID 62813563
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
6-(4-acetamidoanilino)-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 109164557
N-(3-acetamidophenyl)-6-(4-methylanilino)pyridine-3-carboxamide
CID 109162266
N-[4-[(3-carbamothioylpyrazin-2-yl)amino]phenyl]acetamide
CID 62683421
6-(4-acetamidoanilino)-N-(2-ethoxyphenyl)pyridine-3-carboxamide
CID 109164130
N-[4-[[5-(2,3-dihydroindole-1-carbonyl)-2-pyridinyl]amino]phenyl]acetamide
CID 109162452
6-(4-acetamidoanilino)-N-(1,1-dioxothiolan-3-yl)pyridine-3-carboxamide
CID 109159396

Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide?
The IUPAC name of N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide (CID 24705827) is N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccc(C(N)=S)cn2)cc1.
What is the InChIKey of N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide?
The InChIKey is KMCCLNMSXUOLTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-9(19)17-11-3-5-12(6-4-11)18-13-7-2-10(8-16-13)14(15)20/h2-8H,1H3,(H2,15,20)(H,16,18)(H,17,19).
What are the key properties of N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide?
N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide has a molecular weight of 286.36 g/mol, XLogP of 2.42, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-carbamothioyl-2-pyridinyl)amino]phenyl]acetamide is sourced from PubChem (CID 24705827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).