N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide

C14H22N4OS — CID 114767532

IUPACN-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C14H22N4OS/c1-4-9(2)18-13(19)5-6-16-12-8-11(14(15)20)7-10(3)17-12/h7-9H,4-6H2,1-3H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyQOUJPLHKLYYHIB-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.74
Rot. Bonds7

About N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide

N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide (PubChem CID 114767532) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide.

Molecular Properties

Compound NameN-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
PubChem CID114767532
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC NameN-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide
SMILESCCC(C)NC(=O)CCNc1cc(C(N)=S)cc(C)n1
InChIInChI=1S/C14H22N4OS/c1-4-9(2)18-13(19)5-6-16-12-8-11(14(15)20)7-10(3)17-12/h7-9H,4-6H2,1-3H3,(H2,15,20)(H,16,17)(H,18,19)
InChIKeyQOUJPLHKLYYHIB-UHFFFAOYSA-N
XLogP1.74
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.74
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

4-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-cyclopropylbutanamide
CID 114767803
2-methyl-6-[2-(2-methylpropoxy)ethylamino]pyridine-4-carbothioamide
CID 114768008
3-[(6-amino-2-propylpyrimidin-4-yl)amino]-N-butan-2-ylpropanamide
CID 80954543
2-methyl-6-[(2-oxo-2-pyrrolidin-1-ylethyl)amino]pyridine-4-carbothioamide
CID 114767931
methyl 2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]acetate
CID 114767112
2-methyl-6-(2-methylbutan-2-ylamino)pyridine-4-carbothioamide
CID 114767006
N-butan-2-yl-3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propanamide
CID 136974382
2-methyl-6-(3-phenylbutylamino)pyridine-4-carbothioamide
CID 114767627
N-butan-2-yl-3-(2-carbamothioyl-5-chloroanilino)propanamide
CID 63092321
N-(4-carbamothioyl-6-methyl-2-pyridinyl)acetamide
CID 87180864
2-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]-N-propan-2-ylpropanamide
CID 114767933
6-[[3-(butan-2-ylamino)-3-oxopropyl]amino]pyridine-2-carboxylic acid
CID 62238876

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide?
The IUPAC name of N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide (CID 114767532) is N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide.
What is the SMILES notation for N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide?
The canonical SMILES for N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide is CCC(C)NC(=O)CCNc1cc(C(N)=S)cc(C)n1.
What is the InChIKey of N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide?
The InChIKey is QOUJPLHKLYYHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-4-9(2)18-13(19)5-6-16-12-8-11(14(15)20)7-10(3)17-12/h7-9H,4-6H2,1-3H3,(H2,15,20)(H,16,17)(H,18,19).
What are the key properties of N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide?
N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide has a molecular weight of 294.42 g/mol, XLogP of 1.74, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-3-[(4-carbamothioyl-6-methyl-2-pyridinyl)amino]propanamide is sourced from PubChem (CID 114767532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).