6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C16H13F2N5O2S — CID 133329643

IUPAC6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCCOc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H13F2N5O2S/c17-12-3-2-11(7-13(12)18)25-6-5-19-14-4-1-10(8-20-14)15(24)22-16-23-21-9-26-16/h1-4,7-9H,5-6H2,(H,19,20)(H,22,23,24)
InChIKeyHGRDDZFFRQMDNC-UHFFFAOYSA-N
MW377.38 g/mol
LogP2.95
Rot. Bonds7

About 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133329643) has the molecular formula C16H13F2N5O2S and a molecular weight of 377.38 g/mol. Its IUPAC name is 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133329643
Molecular FormulaC16H13F2N5O2S
Molecular Weight377.38 g/mol
Exact Mass377.08
IUPAC Name6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESO=C(Nc1nncs1)c1ccc(NCCOc2ccc(F)c(F)c2)nc1
InChIInChI=1S/C16H13F2N5O2S/c17-12-3-2-11(7-13(12)18)25-6-5-19-14-4-1-10(8-20-14)15(24)22-16-23-21-9-26-16/h1-4,7-9H,5-6H2,(H,19,20)(H,22,23,24)
InChIKeyHGRDDZFFRQMDNC-UHFFFAOYSA-N
XLogP2.95
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.38
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

6-[3-(2,4-dichlorophenoxy)propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329073
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 155947426
6-[2-(diethylamino)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133381329
6-[(3-hydroxy-4-methylpentyl)amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340358
6-[2-(3-methylphenyl)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 71925375
6-(methylamino)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 62185563
6-[[2-(3,4-difluorophenyl)oxolan-3-yl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133435455
6-[(2,5-dimethylfuran-3-yl)methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339550
N-(2-fluorophenyl)-6-[2-(4-methoxyphenoxy)ethylamino]pyridine-3-carboxamide
CID 109160901
6-[[2-(2-chloro-4-fluorophenyl)-2-methylpropyl]amino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339464
6-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]propylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133465099
6-[[2-(4-chlorophenyl)phenyl]methylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133343631

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133329643) is 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is O=C(Nc1nncs1)c1ccc(NCCOc2ccc(F)c(F)c2)nc1.
What is the InChIKey of 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is HGRDDZFFRQMDNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O2S/c17-12-3-2-11(7-13(12)18)25-6-5-19-14-4-1-10(8-20-14)15(24)22-16-23-21-9-26-16/h1-4,7-9H,5-6H2,(H,19,20)(H,22,23,24).
What are the key properties of 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 377.38 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3,4-difluorophenoxy)ethylamino]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133329643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).