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

C21H19Cl2N5O3 — CID 90380907

IUPAC1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncc(-c4nnc(CO)o4)cc3Cl)CC2)cc1Cl
InChIInChI=1S/C21H19Cl2N5O3/c1-12-2-3-15(9-16(12)22)25-20(30)13-4-6-28(7-5-13)19-17(23)8-14(10-24-19)21-27-26-18(11-29)31-21/h2-4,8-10,29H,5-7,11H2,1H3,(H,25,30)
InChIKeyGUEZFCAFDBHRDG-UHFFFAOYSA-N
MW460.32 g/mol
LogP4.01
Rot. Bonds5

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

1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (PubChem CID 90380907) has the molecular formula C21H19Cl2N5O3 and a molecular weight of 460.32 g/mol. Its IUPAC name is 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.

Molecular Properties

Compound Name1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
PubChem CID90380907
Molecular FormulaC21H19Cl2N5O3
Molecular Weight460.32 g/mol
Exact Mass459.09
IUPAC Name1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
SMILESCc1ccc(NC(=O)C2=CCN(c3ncc(-c4nnc(CO)o4)cc3Cl)CC2)cc1Cl
InChIInChI=1S/C21H19Cl2N5O3/c1-12-2-3-15(9-16(12)22)25-20(30)13-4-6-28(7-5-13)19-17(23)8-14(10-24-19)21-27-26-18(11-29)31-21/h2-4,8-10,29H,5-7,11H2,1H3,(H,25,30)
InChIKeyGUEZFCAFDBHRDG-UHFFFAOYSA-N
XLogP4.01
TPSA104.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.32
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

N-(3-chloro-4-methylphenyl)-1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11439853
(E)-3-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)but-2-enamide
CID 90380906
1-[3-chloro-5-[(2S)-1-hydroxypropan-2-yl]-2-pyridinyl]-N-(4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide
CID 90206009
N-[3-chloro-4-(trifluoromethyl)phenyl]-4-[5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-3-methyl-2-pyridinyl]-3,6-dihydro-2H-pyridine-1-carboxamide
CID 71015568
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
3-[[1-(3-chloro-2-pyridinyl)-3,6-dihydro-2H-pyridine-4-carbonyl]amino]benzoic acid
CID 70796553
N-(3-chloro-4-methylphenyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 110392149
1-[5-[(1R)-1,2-dihydroxyethyl]-3-fluoro-2-pyridinyl]-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 59334816
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethoxy)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11280957
1-(3-chloro-2-pyridinyl)-N-[4-(trifluoromethylsulfonyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 11247815
2-(4-acetylpiperazin-1-yl)-N-(3-chloro-4-methylphenyl)pyrimidine-5-carboxamide
CID 109254821
2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-N-(3,4-dimethylphenyl)acetamide
CID 27208040

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The IUPAC name of 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide (CID 90380907) is 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide.
What is the SMILES notation for 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The canonical SMILES for 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is Cc1ccc(NC(=O)C2=CCN(c3ncc(-c4nnc(CO)o4)cc3Cl)CC2)cc1Cl.
What is the InChIKey of 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
The InChIKey is GUEZFCAFDBHRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19Cl2N5O3/c1-12-2-3-15(9-16(12)22)25-20(30)13-4-6-28(7-5-13)19-17(23)8-14(10-24-19)21-27-26-18(11-29)31-21/h2-4,8-10,29H,5-7,11H2,1H3,(H,25,30).
What are the key properties of 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide?
1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide has a molecular weight of 460.32 g/mol, XLogP of 4.01, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-chloro-5-[5-(hydroxymethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]-N-(3-chloro-4-methylphenyl)-3,6-dihydro-2H-pyridine-4-carboxamide is sourced from PubChem (CID 90380907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).