6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C24H22N6O3S — CID 121407679

IUPAC6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)Oc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cn1
InChIInChI=1S/C24H22N6O3S/c1-30(2)23(32)19(14-16-6-4-3-5-7-16)33-20-9-8-18(15-26-20)21(31)27-24-29-28-22(34-24)17-10-12-25-13-11-17/h3-13,15,19H,14H2,1-2H3,(H,27,29,31)/t19-/m0/s1
InChIKeyNIBWODMKXVQENG-IBGZPJMESA-N
MW474.55 g/mol
LogP3.33
Rot. Bonds8

About 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407679) has the molecular formula C24H22N6O3S and a molecular weight of 474.55 g/mol. Its IUPAC name is 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID121407679
Molecular FormulaC24H22N6O3S
Molecular Weight474.55 g/mol
Exact Mass474.15
IUPAC Name6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCN(C)C(=O)[C@H](Cc1ccccc1)Oc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cn1
InChIInChI=1S/C24H22N6O3S/c1-30(2)23(32)19(14-16-6-4-3-5-7-16)33-20-9-8-18(15-26-20)21(31)27-24-29-28-22(34-24)17-10-12-25-13-11-17/h3-13,15,19H,14H2,1-2H3,(H,27,29,31)/t19-/m0/s1
InChIKeyNIBWODMKXVQENG-IBGZPJMESA-N
XLogP3.33
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.55
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide with MolForge

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Related Compounds

N-[5-[(4-methylphenoxy)methyl]-1,3,4-thiadiazol-2-yl]pyridine-3-carboxamide
CID 860547
5-methyl-N-[5-(4-pyridinyl)-1,3,4-thiadiazol-2-yl]-2-furamide
CID 1245709
4-[[5-[(5-Benzyl-1,3,4-thiadiazol-2-yl)carbamoyl]-2-pyridinyl]oxy]cyclohexane-1-carboxylic acid
CID 46851466
N-(2-Methoxyethyl)-3-(2-methoxyphenyl)-N-[5-(pyridin-3-YL)-1,3,4-thiadiazol-2-YL]propanamide
CID 3212800
US10130619, Example 168
CID 121407609
US10130619, Example 106
CID 121407632
US10130619, Example 103
CID 121407692
US10130619, Example 187
CID 121407715
US10130619, Example 198
CID 132199939
US10130619, Example 200
CID 132199940
US11306081, Example 092
CID 142516336
US11306081, Example 097
CID 156361594

Frequently Asked Questions

What is the IUPAC name of 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407679) is 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CN(C)C(=O)[C@H](Cc1ccccc1)Oc1ccc(C(=O)Nc2nnc(-c3ccncc3)s2)cn1.
What is the InChIKey of 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is NIBWODMKXVQENG-IBGZPJMESA-N. The full InChI is InChI=1S/C24H22N6O3S/c1-30(2)23(32)19(14-16-6-4-3-5-7-16)33-20-9-8-18(15-26-20)21(31)27-24-29-28-22(34-24)17-10-12-25-13-11-17/h3-13,15,19H,14H2,1-2H3,(H,27,29,31)/t19-/m0/s1.
What are the key properties of 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 474.55 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2S)-1-(dimethylamino)-1-oxo-3-phenylpropan-2-yl]oxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).