N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide

C10H13N5O2S — CID 71756607

IUPACN-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide
SMILESCNC(=S)NNC(=O)c1cncc(NC(C)=O)c1
InChIInChI=1S/C10H13N5O2S/c1-6(16)13-8-3-7(4-12-5-8)9(17)14-15-10(18)11-2/h3-5H,1-2H3,(H,13,16)(H,14,17)(H2,11,15,18)
InChIKeyOYMSBGSYMSRNFT-UHFFFAOYSA-N
MW267.31 g/mol
LogP-0.22
Rot. Bonds2

About N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide

N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide (PubChem CID 71756607) has the molecular formula C10H13N5O2S and a molecular weight of 267.31 g/mol. Its IUPAC name is N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide
PubChem CID71756607
Molecular FormulaC10H13N5O2S
Molecular Weight267.31 g/mol
Exact Mass267.08
IUPAC NameN-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide
SMILESCNC(=S)NNC(=O)c1cncc(NC(C)=O)c1
InChIInChI=1S/C10H13N5O2S/c1-6(16)13-8-3-7(4-12-5-8)9(17)14-15-10(18)11-2/h3-5H,1-2H3,(H,13,16)(H,14,17)(H2,11,15,18)
InChIKeyOYMSBGSYMSRNFT-UHFFFAOYSA-N
XLogP-0.22
TPSA95.15 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 5-0.22
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-3-[[5-(2-phenylethynyl)pyridine-3-carbonyl]amino]thiourea
CID 2822395
N-(5-amino-3-pyridinyl)acetamide
CID 69179532
N-[4-(methylcarbamothioylamino)phenyl]acetamide
CID 7941957
5-[(4-methylphenyl)carbamothioylamino]pyridine-3-carboxylic acid
CID 146674947
N-[4-[(phenylcarbamothioylamino)carbamoyl]phenyl]acetamide
CID 910312
5-(4-acetamidoanilino)-N-[4-(dimethylamino)phenyl]pyridine-3-carboxamide
CID 109245894
5-(4-acetamidoanilino)-N-cyclopentylpyridine-3-carboxamide
CID 109226017
N-(3-acetamidophenyl)-5-(4-chloroanilino)pyridine-3-carboxamide
CID 109244632
N-(4-acetamidophenyl)-5-(2,5-dimethylanilino)pyridine-3-carboxamide
CID 109242868
N-(4-acetamidophenyl)-5-(pyrrolidine-1-carbonyl)pyridine-3-carboxamide
CID 109102613
N-(4-acetamidophenyl)-5-(dipropylamino)pyridine-3-carboxamide
CID 109241075
N-(3-acetylphenyl)-5-hydroxypyridine-3-carboxamide
CID 63859581

Frequently Asked Questions

What is the IUPAC name of N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide?
The IUPAC name of N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide (CID 71756607) is N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide?
The canonical SMILES for N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide is CNC(=S)NNC(=O)c1cncc(NC(C)=O)c1.
What is the InChIKey of N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide?
The InChIKey is OYMSBGSYMSRNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O2S/c1-6(16)13-8-3-7(4-12-5-8)9(17)14-15-10(18)11-2/h3-5H,1-2H3,(H,13,16)(H,14,17)(H2,11,15,18).
What are the key properties of N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide?
N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide has a molecular weight of 267.31 g/mol, XLogP of -0.22, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(methylcarbamothioylamino)carbamoyl]-3-pyridinyl]acetamide is sourced from PubChem (CID 71756607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).