4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide

C13H18N4OS — CID 115488712

IUPAC4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESNC(=S)c1ccc(NCCCC(=O)NC2CC2)cn1
InChIInChI=1S/C13H18N4OS/c14-13(19)11-6-5-10(8-16-11)15-7-1-2-12(18)17-9-3-4-9/h5-6,8-9,15H,1-4,7H2,(H2,14,19)(H,17,18)
InChIKeyHXSOOIRGAJXWIU-UHFFFAOYSA-N
MW278.38 g/mol
LogP1.19
Rot. Bonds7

About 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide

4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide (PubChem CID 115488712) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide.

Molecular Properties

Compound Name4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
PubChem CID115488712
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide
SMILESNC(=S)c1ccc(NCCCC(=O)NC2CC2)cn1
InChIInChI=1S/C13H18N4OS/c14-13(19)11-6-5-10(8-16-11)15-7-1-2-12(18)17-9-3-4-9/h5-6,8-9,15H,1-4,7H2,(H2,14,19)(H,17,18)
InChIKeyHXSOOIRGAJXWIU-UHFFFAOYSA-N
XLogP1.19
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 51.19
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'}

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Related Compounds

3-[(6-carbamothioyl-3-pyridinyl)sulfonylamino]-N-cyclopropylpropanamide
CID 114614582
N-cyclopropyl-4-[(5-fluoro-2-pyridinyl)amino]butanamide
CID 79401055
5-(2-cyclopropylethylamino)pyridine-2-carbothioamide
CID 115488684
N-cyclopropyl-4-(3,4-diaminoanilino)butanamide
CID 106750979
5-(cyclopropylamino)pyridine-2-carbothioamide
CID 115488040
N-cyclopropyl-4-[(5-fluoropyrimidin-2-yl)amino]butanamide
CID 112703121
5-(2-cyclohexylethylamino)pyridine-2-carbothioamide
CID 113320813
3-[(6-carbamothioyl-3-pyridinyl)amino]-3-methylbutanamide
CID 106096803
6-[[4-(cyclopropylamino)-4-oxobutyl]amino]pyrazine-2-carboxylic acid
CID 79400956
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 114767803
4-[(4-aminopyrimidin-2-yl)amino]-N-cyclopropylbutanamide
CID 116796107

Frequently Asked Questions

What is the IUPAC name of 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide?
The IUPAC name of 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide (CID 115488712) is 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide.
What is the SMILES notation for 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide?
The canonical SMILES for 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide is NC(=S)c1ccc(NCCCC(=O)NC2CC2)cn1.
What is the InChIKey of 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide?
The InChIKey is HXSOOIRGAJXWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c14-13(19)11-6-5-10(8-16-11)15-7-1-2-12(18)17-9-3-4-9/h5-6,8-9,15H,1-4,7H2,(H2,14,19)(H,17,18).
What are the key properties of 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide?
4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide has a molecular weight of 278.38 g/mol, XLogP of 1.19, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-carbamothioyl-3-pyridinyl)amino]-N-cyclopropylbutanamide is sourced from PubChem (CID 115488712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).