5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

C24H23ClN6O2S — CID 121407469

IUPAC5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCN(C)CCC(Oc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1Cl)c1ccccc1
InChIInChI=1S/C24H23ClN6O2S/c1-31(2)13-10-20(16-6-4-3-5-7-16)33-22-19(25)14-18(15-27-22)21(32)28-24-30-29-23(34-24)17-8-11-26-12-9-17/h3-9,11-12,14-15,20H,10,13H2,1-2H3,(H,28,30,32)
InChIKeyPKNSSHFPACDEAA-UHFFFAOYSA-N
MW495.01 g/mol
LogP4.97
Rot. Bonds9

About 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide

5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (PubChem CID 121407469) has the molecular formula C24H23ClN6O2S and a molecular weight of 495.01 g/mol. Its IUPAC name is 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
PubChem CID121407469
Molecular FormulaC24H23ClN6O2S
Molecular Weight495.01 g/mol
Exact Mass494.13
IUPAC Name5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
SMILESCN(C)CCC(Oc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1Cl)c1ccccc1
InChIInChI=1S/C24H23ClN6O2S/c1-31(2)13-10-20(16-6-4-3-5-7-16)33-22-19(25)14-18(15-27-22)21(32)28-24-30-29-23(34-24)17-8-11-26-12-9-17/h3-9,11-12,14-15,20H,10,13H2,1-2H3,(H,28,30,32)
InChIKeyPKNSSHFPACDEAA-UHFFFAOYSA-N
XLogP4.97
TPSA93.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.01
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(dimethylamino)-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407638
6-[(1S)-3-(dimethylamino)-1-phenylpropoxy]-5-(oxan-4-ylmethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407507
4-[3-(dimethylamino)-1-phenylpropoxy]-3-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121407591
6-[2-(dimethylamino)-1-phenylethoxy]-5-methoxy-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407621
5-methyl-6-[(1S)-1-phenylethoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407627
5-(methylamino)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407459
5-methylsulfonyl-6-(1-phenyl-2-pyrrolidin-1-ylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121414932
5-(4-methylpiperazin-1-yl)-6-(1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 121407656
3-methoxy-4-(2-morpholin-4-yl-1-phenylethoxy)-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 121407492
(2R)-2-phenyl-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)butanamide
CID 1245081
N-(1,3-benzothiazol-2-yl)-5-chloro-6-propan-2-yloxypyridine-3-carboxamide
CID 52687935
6-chloro-N-(5-phenyl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide
CID 27991303

Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The IUPAC name of 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide (CID 121407469) is 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The canonical SMILES for 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is CN(C)CCC(Oc1ncc(C(=O)Nc2nnc(-c3ccncc3)s2)cc1Cl)c1ccccc1.
What is the InChIKey of 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
The InChIKey is PKNSSHFPACDEAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23ClN6O2S/c1-31(2)13-10-20(16-6-4-3-5-7-16)33-22-19(25)14-18(15-27-22)21(32)28-24-30-29-23(34-24)17-8-11-26-12-9-17/h3-9,11-12,14-15,20H,10,13H2,1-2H3,(H,28,30,32).
What are the key properties of 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide?
5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide has a molecular weight of 495.01 g/mol, XLogP of 4.97, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[3-(dimethylamino)-1-phenylpropoxy]-N-(5-pyridin-4-yl-1,3,4-thiadiazol-2-yl)pyridine-3-carboxamide is sourced from PubChem (CID 121407469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).