4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide

C14H20N4OS — CID 114767803

IUPAC4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESCc1cc(C(N)=S)cc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C14H20N4OS/c1-9-7-10(14(15)20)8-12(17-9)16-6-2-3-13(19)18-11-4-5-11/h7-8,11H,2-6H2,1H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyBLFITYBQIWGFCQ-UHFFFAOYSA-N
MW292.41 g/mol
LogP1.49
Rot. Bonds7

About 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide

4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide (PubChem CID 114767803) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
PubChem CID114767803
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC Name4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESCc1cc(C(N)=S)cc(NCCCC(=O)NC2CC2)n1
InChIInChI=1S/C14H20N4OS/c1-9-7-10(14(15)20)8-12(17-9)16-6-2-3-13(19)18-11-4-5-11/h7-8,11H,2-6H2,1H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyBLFITYBQIWGFCQ-UHFFFAOYSA-N
XLogP1.49
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-chloro-2-methylpyrimidin-4-yl)amino]-N-cyclopropylbutanamide
CID 78918775
N-cyclopropyl-4-[[2-methyl-6-(propylamino)pyrimidin-4-yl]amino]butanamide
CID 80835175
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
CID 114767532
2-methyl-6-[(2,2,3,3-tetramethylcyclopropyl)methylamino]pyridine-4-carbothioamide
CID 114767799
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
N-cyclopropyl-4-[(5,6-diamino-2-pyridinyl)amino]butanamide
CID 79825438
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
2-(cyclobutylamino)-6-methylpyridine-4-carbothioamide
CID 58503678
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
CID 115488712
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114767931

Frequently Asked Questions

What is the IUPAC name of 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide (CID 114767803) is 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide is Cc1cc(C(N)=S)cc(NCCCC(=O)NC2CC2)n1.
What is the InChIKey of 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide?
The InChIKey is BLFITYBQIWGFCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4OS/c1-9-7-10(14(15)20)8-12(17-9)16-6-2-3-13(19)18-11-4-5-11/h7-8,11H,2-6H2,1H3,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide?
4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide has a molecular weight of 292.41 g/mol, XLogP of 1.49, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 114767803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).