4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

C23H24ClN5O3 — CID 90380903

IUPAC4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC=C(c3ncc(-c4nnc(CCO)o4)cc3Cl)CC2)cc1C
InChIInChI=1S/C23H24ClN5O3/c1-14-3-4-18(11-15(14)2)26-23(31)29-8-5-16(6-9-29)21-19(24)12-17(13-25-21)22-28-27-20(32-22)7-10-30/h3-5,11-13,30H,6-10H2,1-2H3,(H,26,31)
InChIKeyCLXYELRSXNZMJY-UHFFFAOYSA-N
MW453.93 g/mol
LogP4.26
Rot. Bonds5

About 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide

4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (PubChem CID 90380903) has the molecular formula C23H24ClN5O3 and a molecular weight of 453.93 g/mol. Its IUPAC name is 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.

Molecular Properties

Compound Name4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
PubChem CID90380903
Molecular FormulaC23H24ClN5O3
Molecular Weight453.93 g/mol
Exact Mass453.16
IUPAC Name4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CC=C(c3ncc(-c4nnc(CCO)o4)cc3Cl)CC2)cc1C
InChIInChI=1S/C23H24ClN5O3/c1-14-3-4-18(11-15(14)2)26-23(31)29-8-5-16(6-9-29)21-19(24)12-17(13-25-21)22-28-27-20(32-22)7-10-30/h3-5,11-13,30H,6-10H2,1-2H3,(H,26,31)
InChIKeyCLXYELRSXNZMJY-UHFFFAOYSA-N
XLogP4.26
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.93
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The IUPAC name of 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide (CID 90380903) is 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide.
What is the SMILES notation for 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The canonical SMILES for 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is Cc1ccc(NC(=O)N2CC=C(c3ncc(-c4nnc(CCO)o4)cc3Cl)CC2)cc1C.
What is the InChIKey of 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
The InChIKey is CLXYELRSXNZMJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN5O3/c1-14-3-4-18(11-15(14)2)26-23(31)29-8-5-16(6-9-29)21-19(24)12-17(13-25-21)22-28-27-20(32-22)7-10-30/h3-5,11-13,30H,6-10H2,1-2H3,(H,26,31).
What are the key properties of 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide?
4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide has a molecular weight of 453.93 g/mol, XLogP of 4.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-5-[5-(2-hydroxyethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3,4-dimethylphenyl)-3,6-dihydro-2H-pyridine-1-carboxamide is sourced from PubChem (CID 90380903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).