N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide

C21H16BrN5O3S — CID 155353663

IUPACN-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccncc1C(=O)Nc1nnc(OCc2ccc(Br)cn2)s1
InChIInChI=1S/C21H16BrN5O3S/c1-29-18-5-3-2-4-16(18)15-8-9-23-11-17(15)19(28)25-20-26-27-21(31-20)30-12-14-7-6-13(22)10-24-14/h2-11H,12H2,1H3,(H,25,26,28)
InChIKeyNGHWSKIHMHWOBI-UHFFFAOYSA-N
MW498.36 g/mol
LogP4.60
Rot. Bonds7

About N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide

N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide (PubChem CID 155353663) has the molecular formula C21H16BrN5O3S and a molecular weight of 498.36 g/mol. Its IUPAC name is N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide
PubChem CID155353663
Molecular FormulaC21H16BrN5O3S
Molecular Weight498.36 g/mol
Exact Mass497.02
IUPAC NameN-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide
SMILESCOc1ccccc1-c1ccncc1C(=O)Nc1nnc(OCc2ccc(Br)cn2)s1
InChIInChI=1S/C21H16BrN5O3S/c1-29-18-5-3-2-4-16(18)15-8-9-23-11-17(15)19(28)25-20-26-27-21(31-20)30-12-14-7-6-13(22)10-24-14/h2-11H,12H2,1H3,(H,25,26,28)
InChIKeyNGHWSKIHMHWOBI-UHFFFAOYSA-N
XLogP4.60
TPSA99.12 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.36
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide (CID 155353663) is N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide is COc1ccccc1-c1ccncc1C(=O)Nc1nnc(OCc2ccc(Br)cn2)s1.
What is the InChIKey of N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide?
The InChIKey is NGHWSKIHMHWOBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16BrN5O3S/c1-29-18-5-3-2-4-16(18)15-8-9-23-11-17(15)19(28)25-20-26-27-21(31-20)30-12-14-7-6-13(22)10-24-14/h2-11H,12H2,1H3,(H,25,26,28).
What are the key properties of N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide?
N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide has a molecular weight of 498.36 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-bromo-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-4-(2-methoxyphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 155353663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).