6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide

C18H19N5OS — CID 133379872

IUPAC6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCc2nnc(-c3ccccc3)s2)nc1
InChIInChI=1S/C18H19N5OS/c1-2-10-19-17(24)14-8-9-15(20-11-14)21-12-16-22-23-18(25-16)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,24)(H,20,21)
InChIKeyQJHMWORGDHKYAD-UHFFFAOYSA-N
MW353.45 g/mol
LogP3.35
Rot. Bonds7

About 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide

6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide (PubChem CID 133379872) has the molecular formula C18H19N5OS and a molecular weight of 353.45 g/mol. Its IUPAC name is 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide
PubChem CID133379872
Molecular FormulaC18H19N5OS
Molecular Weight353.45 g/mol
Exact Mass353.13
IUPAC Name6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide
SMILESCCCNC(=O)c1ccc(NCc2nnc(-c3ccccc3)s2)nc1
InChIInChI=1S/C18H19N5OS/c1-2-10-19-17(24)14-8-9-15(20-11-14)21-12-16-22-23-18(25-16)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,24)(H,20,21)
InChIKeyQJHMWORGDHKYAD-UHFFFAOYSA-N
XLogP3.35
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.45
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-(2-phenylethylamino)-N-propylpyridine-3-carboxamide
CID 109151243
N-[(5-phenyl-1,3,4-thiadiazol-2-yl)methyl]benzamide
CID 110873740
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240
6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]pyridazine-3-carboxamide
CID 133379878
6-(pentylamino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158304
N-[(2-fluorophenyl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62166042
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-6-(propylamino)pyridine-3-carboxamide
CID 62176173
N-(2-phenylethyl)-6-(pyridin-4-ylmethylamino)pyridine-3-carboxamide
CID 109158018
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
6-[(2-hydroxycyclopentyl)methylamino]-N-propylpyridine-3-carboxamide
CID 133324037
N-(2-ethoxyethyl)-6-(propylamino)pyridine-3-carboxamide
CID 62187218
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596

Frequently Asked Questions

What is the IUPAC name of 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide?
The IUPAC name of 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide (CID 133379872) is 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide.
What is the SMILES notation for 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide?
The canonical SMILES for 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide is CCCNC(=O)c1ccc(NCc2nnc(-c3ccccc3)s2)nc1.
What is the InChIKey of 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide?
The InChIKey is QJHMWORGDHKYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5OS/c1-2-10-19-17(24)14-8-9-15(20-11-14)21-12-16-22-23-18(25-16)13-6-4-3-5-7-13/h3-9,11H,2,10,12H2,1H3,(H,19,24)(H,20,21).
What are the key properties of 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide?
6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide has a molecular weight of 353.45 g/mol, XLogP of 3.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-phenyl-1,3,4-thiadiazol-2-yl)methylamino]-N-propylpyridine-3-carboxamide is sourced from PubChem (CID 133379872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).