2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide

C14H22N4OS — CID 61452449

IUPAC2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(C)cc(C)c1C(N)=S
InChIInChI=1S/C14H22N4OS/c1-5-6-16-11(19)8-18(4)14-12(13(15)20)9(2)7-10(3)17-14/h7H,5-6,8H2,1-4H3,(H2,15,20)(H,16,19)
InChIKeyPOXUYCKMWFQEDO-UHFFFAOYSA-N
MW294.42 g/mol
LogP1.30
Rot. Bonds6

About 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide

2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide (PubChem CID 61452449) has the molecular formula C14H22N4OS and a molecular weight of 294.42 g/mol. Its IUPAC name is 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide.

Molecular Properties

Compound Name2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
PubChem CID61452449
Molecular FormulaC14H22N4OS
Molecular Weight294.42 g/mol
Exact Mass294.15
IUPAC Name2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide
SMILESCCCNC(=O)CN(C)c1nc(C)cc(C)c1C(N)=S
InChIInChI=1S/C14H22N4OS/c1-5-6-16-11(19)8-18(4)14-12(13(15)20)9(2)7-10(3)17-14/h7H,5-6,8H2,1-4H3,(H2,15,20)(H,16,19)
InChIKeyPOXUYCKMWFQEDO-UHFFFAOYSA-N
XLogP1.30
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.42
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The IUPAC name of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide (CID 61452449) is 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide.
What is the SMILES notation for 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The canonical SMILES for 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide is CCCNC(=O)CN(C)c1nc(C)cc(C)c1C(N)=S.
What is the InChIKey of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide?
The InChIKey is POXUYCKMWFQEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4OS/c1-5-6-16-11(19)8-18(4)14-12(13(15)20)9(2)7-10(3)17-14/h7H,5-6,8H2,1-4H3,(H2,15,20)(H,16,19).
What are the key properties of 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide?
2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide has a molecular weight of 294.42 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-carbamothioyl-4,6-dimethyl-2-pyridinyl)-methylamino]-N-propylacetamide is sourced from PubChem (CID 61452449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).