5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide

C14H20N4O2S — CID 63724916

IUPAC5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NCCCN2CCOCC2)nc1
InChIInChI=1S/C14H20N4O2S/c15-13(21)11-2-3-12(17-10-11)14(19)16-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H2,15,21)(H,16,19)
InChIKeyFYWKHXQYGCBLRS-UHFFFAOYSA-N
MW308.41 g/mol
LogP0.17
Rot. Bonds6

About 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide

5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide (PubChem CID 63724916) has the molecular formula C14H20N4O2S and a molecular weight of 308.41 g/mol. Its IUPAC name is 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
PubChem CID63724916
Molecular FormulaC14H20N4O2S
Molecular Weight308.41 g/mol
Exact Mass308.13
IUPAC Name5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
SMILESNC(=S)c1ccc(C(=O)NCCCN2CCOCC2)nc1
InChIInChI=1S/C14H20N4O2S/c15-13(21)11-2-3-12(17-10-11)14(19)16-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H2,15,21)(H,16,19)
InChIKeyFYWKHXQYGCBLRS-UHFFFAOYSA-N
XLogP0.17
TPSA80.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.41
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

2-N,5-N-bis(3-morpholin-4-ylpropyl)pyridine-2,5-dicarboxamide
CID 4595283
6-(3-morpholin-4-ylpropylamino)pyridine-3-carbothioamide
CID 43348273
5-cyano-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide
CID 63717300
5-carbamothioyl-N-morpholin-4-ylpyridine-2-carboxamide
CID 83016505
1-N,4-N-bis(3-morpholin-4-ylpropyl)benzene-1,4-dicarboxamide;hydrochloride
CID 54609927
5-carbamothioyl-N-(3-imidazol-1-ylpropyl)pyridine-2-carboxamide
CID 63724768
N-(3-morpholin-4-ylpropyl)pyrimidine-4-carboxamide
CID 141309481
N-(3-morpholin-4-ylpropyl)-6-pyrrolidin-1-ylpyridine-3-carboxamide
CID 84570657
3,4-dichloro-N-(3-morpholin-4-ylpropyl)benzamide
CID 3328171
5-carbamothioyl-N-(4-methoxybutyl)pyridine-2-carboxamide
CID 63748322
4-(chloromethyl)-N-(3-morpholin-4-ylpropyl)benzamide
CID 43168028
N-(3-morpholin-4-ylpropyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959342

Frequently Asked Questions

What is the IUPAC name of 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide?
The IUPAC name of 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide (CID 63724916) is 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide?
The canonical SMILES for 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide is NC(=S)c1ccc(C(=O)NCCCN2CCOCC2)nc1.
What is the InChIKey of 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide?
The InChIKey is FYWKHXQYGCBLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2S/c15-13(21)11-2-3-12(17-10-11)14(19)16-4-1-5-18-6-8-20-9-7-18/h2-3,10H,1,4-9H2,(H2,15,21)(H,16,19).
What are the key properties of 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide?
5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide has a molecular weight of 308.41 g/mol, XLogP of 0.17, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-carbamothioyl-N-(3-morpholin-4-ylpropyl)pyridine-2-carboxamide is sourced from PubChem (CID 63724916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).