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

C19H16ClN7O3S — CID 155343145

IUPACN-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide
SMILESN#CC1CN(c2ncccc2C(=O)Nc2nnc(OCc3ccc(Cl)cn3)s2)CCO1
InChIInChI=1S/C19H16ClN7O3S/c20-12-3-4-13(23-9-12)11-30-19-26-25-18(31-19)24-17(28)15-2-1-5-22-16(15)27-6-7-29-14(8-21)10-27/h1-5,9,14H,6-7,10-11H2,(H,24,25,28)
InChIKeyVJQSQBJMZDBJDH-UHFFFAOYSA-N
MW457.90 g/mol
LogP2.54
Rot. Bonds6

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

N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide (PubChem CID 155343145) has the molecular formula C19H16ClN7O3S and a molecular weight of 457.90 g/mol. Its IUPAC name is N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide
PubChem CID155343145
Molecular FormulaC19H16ClN7O3S
Molecular Weight457.90 g/mol
Exact Mass457.07
IUPAC NameN-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide
SMILESN#CC1CN(c2ncccc2C(=O)Nc2nnc(OCc3ccc(Cl)cn3)s2)CCO1
InChIInChI=1S/C19H16ClN7O3S/c20-12-3-4-13(23-9-12)11-30-19-26-25-18(31-19)24-17(28)15-2-1-5-22-16(15)27-6-7-29-14(8-21)10-27/h1-5,9,14H,6-7,10-11H2,(H,24,25,28)
InChIKeyVJQSQBJMZDBJDH-UHFFFAOYSA-N
XLogP2.54
TPSA126.15 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.90
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(4-methylsulfinylpiperazin-1-yl)pyridine-3-carboxamide
CID 155353901
N-[5-[(4-fluorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 155343151
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-[(3S)-3-methyl-5-oxopiperazin-1-yl]pyridine-3-carboxamide
CID 155343181
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(3-oxo-1,4-diazepan-1-yl)pyridine-3-carboxamide
CID 155342307
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[(3S,5S)-3,5-dimethylmorpholin-4-yl]pyridine-4-carboxamide
CID 155342604
4-chloro-N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-methylpyridine-3-carboxamide
CID 163391275
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-(2-methoxyphenyl)pyridine-4-carboxamide
CID 155353937
5-N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-6-(4-hydroxypiperidin-1-yl)pyridine-2,5-dicarboxamide
CID 167405101
N-[5-[(4-chlorophenyl)methoxy]-1,3,4-thiadiazol-2-yl]-3-[(1R,6S,7R)-7-methyl-2-oxa-5-azabicyclo[4.1.0]heptan-5-yl]pyridine-4-carboxamide
CID 155353971
methyl 2-[4-(3-carbamoyl-2-pyridinyl)morpholin-2-yl]acetate
CID 79770247
N-[5-[(2,4-dichlorophenyl)methyl]-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 134055846
5-(2-chloro-5-methoxy-4-pyridinyl)-N-[5-[(5-cyano-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-1-methyl-2-oxopyridine-4-carboxamide
CID 172610321

Frequently Asked Questions

What is the IUPAC name of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide?
The IUPAC name of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide (CID 155343145) is N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide is N#CC1CN(c2ncccc2C(=O)Nc2nnc(OCc3ccc(Cl)cn3)s2)CCO1.
What is the InChIKey of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide?
The InChIKey is VJQSQBJMZDBJDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN7O3S/c20-12-3-4-13(23-9-12)11-30-19-26-25-18(31-19)24-17(28)15-2-1-5-22-16(15)27-6-7-29-14(8-21)10-27/h1-5,9,14H,6-7,10-11H2,(H,24,25,28).
What are the key properties of N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide?
N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide has a molecular weight of 457.90 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(5-chloro-2-pyridinyl)methoxy]-1,3,4-thiadiazol-2-yl]-2-(2-cyanomorpholin-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 155343145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).