methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate

C24H22ClN3O3 — CID 54750214

IUPACmethyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(O)CC(c2ccccn2)N(Cc2ccc(Cl)cc2)C1c1ccccn1
InChIInChI=1S/C24H22ClN3O3/c1-31-24(30)22-21(29)14-20(18-6-2-4-12-26-18)28(15-16-8-10-17(25)11-9-16)23(22)19-7-3-5-13-27-19/h2-13,20,23,29H,14-15H2,1H3
InChIKeyZTSZYEVQBBNDDD-UHFFFAOYSA-N
MW435.91 g/mol
LogP4.80
Rot. Bonds5

About methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate

methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate (PubChem CID 54750214) has the molecular formula C24H22ClN3O3 and a molecular weight of 435.91 g/mol. Its IUPAC name is methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate
PubChem CID54750214
Molecular FormulaC24H22ClN3O3
Molecular Weight435.91 g/mol
Exact Mass435.13
IUPAC Namemethyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate
SMILESCOC(=O)C1=C(O)CC(c2ccccn2)N(Cc2ccc(Cl)cc2)C1c1ccccn1
InChIInChI=1S/C24H22ClN3O3/c1-31-24(30)22-21(29)14-20(18-6-2-4-12-26-18)28(15-16-8-10-17(25)11-9-16)23(22)19-7-3-5-13-27-19/h2-13,20,23,29H,14-15H2,1H3
InChIKeyZTSZYEVQBBNDDD-UHFFFAOYSA-N
XLogP4.80
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.91
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate with MolForge

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Related Compounds

methyl (2R,6S)-1-[(4-chlorophenyl)methyl]-4-oxo-2,6-dipyridin-2-ylpiperidine-3-carboxylate
CID 90891576
N-(4-chlorophenyl)-2-pyridin-2-ylpyrrolidine-1-carboxamide
CID 110874700
dimethyl 1-[(4-chlorophenyl)methyl]-4-phenyl-4H-pyridine-3,5-dicarboxylate
CID 175446612
dimethyl 1,2,6-trimethyl-4-pyridin-2-yl-4H-pyridine-3,5-dicarboxylate
CID 714587
methyl 2-[4-[2-(4-chlorophenoxy)acetyl]piperazin-1-yl]benzoate
CID 113078382
tert-butyl (2S,3R)-1-benzyl-3-pyridin-2-ylaziridine-2-carboxylate
CID 10804908
dimethyl (2S,4R)-1-benzylazetidine-2,4-dicarboxylate
CID 14654381
2-[(2S)-1-[(4-methylsulfonylphenyl)methyl]pyrrolidin-2-yl]pyridine
CID 99937922
dimethyl 1-benzyl-4-(4-chlorophenyl)-4H-pyridine-3,5-dicarboxylate
CID 1295292
methyl 2-(4-chlorophenyl)pyridine-3-carboxylate;propane
CID 170705123
dimethyl 3,7-dibenzyl-9-oxo-2,4-dipyridin-2-yl-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate;manganese(2+);dichloride
CID 70256397
methyl 3-[(4-chlorophenyl)methyl]-4-methyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
CID 56588733

Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate?
The IUPAC name of methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate (CID 54750214) is methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate.
What is the SMILES notation for methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate?
The canonical SMILES for methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate is COC(=O)C1=C(O)CC(c2ccccn2)N(Cc2ccc(Cl)cc2)C1c1ccccn1.
What is the InChIKey of methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate?
The InChIKey is ZTSZYEVQBBNDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O3/c1-31-24(30)22-21(29)14-20(18-6-2-4-12-26-18)28(15-16-8-10-17(25)11-9-16)23(22)19-7-3-5-13-27-19/h2-13,20,23,29H,14-15H2,1H3.
What are the key properties of methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate?
methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate has a molecular weight of 435.91 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4-chlorophenyl)methyl]-4-hydroxy-2,6-dipyridin-2-yl-3,6-dihydro-2H-pyridine-5-carboxylate is sourced from PubChem (CID 54750214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).