6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C17H23N5O2S — CID 133339095

IUPAC6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCCOC1CCCN(c2ccc(C(=O)Nc3nncs3)cn2)CC1
InChIInChI=1S/C17H23N5O2S/c1-2-10-24-14-4-3-8-22(9-7-14)15-6-5-13(11-18-15)16(23)20-17-21-19-12-25-17/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,20,21,23)
InChIKeyYIMFJNCYGORBCD-UHFFFAOYSA-N
MW361.47 g/mol
LogP2.97
Rot. Bonds6

About 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 133339095) has the molecular formula C17H23N5O2S and a molecular weight of 361.47 g/mol. Its IUPAC name is 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID133339095
Molecular FormulaC17H23N5O2S
Molecular Weight361.47 g/mol
Exact Mass361.16
IUPAC Name6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCCCOC1CCCN(c2ccc(C(=O)Nc3nncs3)cn2)CC1
InChIInChI=1S/C17H23N5O2S/c1-2-10-24-14-4-3-8-22(9-7-14)15-6-5-13(11-18-15)16(23)20-17-21-19-12-25-17/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,20,21,23)
InChIKeyYIMFJNCYGORBCD-UHFFFAOYSA-N
XLogP2.97
TPSA80.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-(3-methoxypiperidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329253
6-(4-tert-butylazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339739
6-[3-(butanoylamino)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133354793
6-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329585
6-[3-(4-ethylpiperazin-1-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133329677
6-[4-[(4-chlorophenyl)-hydroxymethyl]piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339153
6-(2,3-dimethylpyrrolidin-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133357725
6-[3-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133339748
6-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133340439
6-[4-(4-ethylphenyl)-3,6-dihydro-2H-pyridin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133444390
6-(4-methyl-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b][1,4]oxazin-6-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133364406
6-[2-(3-methoxyphenyl)pyrrolidin-1-yl]-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 133333545

Frequently Asked Questions

What is the IUPAC name of 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 133339095) is 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CCCOC1CCCN(c2ccc(C(=O)Nc3nncs3)cn2)CC1.
What is the InChIKey of 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is YIMFJNCYGORBCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S/c1-2-10-24-14-4-3-8-22(9-7-14)15-6-5-13(11-18-15)16(23)20-17-21-19-12-25-17/h5-6,11-12,14H,2-4,7-10H2,1H3,(H,20,21,23).
What are the key properties of 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 361.47 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-propoxyazepan-1-yl)-N-(1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 133339095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).