5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane

C46H46Cl2N4O3 — CID 159916668

IUPAC5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane
SMILESC1CCOC1.COc1ccc(Cc2ccc(C#N)nc2)cc1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(C)(C)N)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O.C20H15ClN2O.C4H8O/c1-22(2,24)21-10-8-16(14-25-21)11-15-7-9-20(26-3)19(12-15)17-5-4-6-18(23)13-17;1-24-20-8-6-14(9-15-5-7-18(12-22)23-13-15)10-19(20)16-3-2-4-17(21)11-16;1-2-4-5-3-1/h4-10,12-14H,11,24H2,1-3H3;2-8,10-11,13H,9H2,1H3;1-4H2
InChIKeyNXWGQOVNINGQSB-UHFFFAOYSA-N
MW773.81 g/mol
LogP10.87
Rot. Bonds9

About 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane

5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane (PubChem CID 159916668) has the molecular formula C46H46Cl2N4O3 and a molecular weight of 773.81 g/mol. Its IUPAC name is 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane.

Molecular Properties

Compound Name5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane
PubChem CID159916668
Molecular FormulaC46H46Cl2N4O3
Molecular Weight773.81 g/mol
Exact Mass772.29
IUPAC Name5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane
SMILESC1CCOC1.COc1ccc(Cc2ccc(C#N)nc2)cc1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(C)(C)N)nc2)cc1-c1cccc(Cl)c1
InChIInChI=1S/C22H23ClN2O.C20H15ClN2O.C4H8O/c1-22(2,24)21-10-8-16(14-25-21)11-15-7-9-20(26-3)19(12-15)17-5-4-6-18(23)13-17;1-24-20-8-6-14(9-15-5-7-18(12-22)23-13-15)10-19(20)16-3-2-4-17(21)11-16;1-2-4-5-3-1/h4-10,12-14H,11,24H2,1-3H3;2-8,10-11,13H,9H2,1H3;1-4H2
InChIKeyNXWGQOVNINGQSB-UHFFFAOYSA-N
XLogP10.87
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500773.81
LogP ≤ 510.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane with MolForge

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Related Compounds

2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-ol;hydrochloride
CID 68790293
4-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]morpholine
CID 58020299
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline
CID 58019873
[4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]phenyl]methanamine;hydrochloride
CID 68789943
4-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]aniline;hydrochloride
CID 68789956
1-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]-3-methylimidazolidin-2-one
CID 46213060
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-[(2R)-2-hydroperoxypyrrolidin-1-yl]pyridine
CID 143810453
[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methanol;[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]methyl N-ethylcarbamate;hydrochloride
CID 158204197
5-[[3-(3-chlorophenyl)-4-(difluoromethoxy)phenyl]methyl]-N-methylpyridin-2-amine
CID 140545391
[3-(3-chlorophenyl)-4-methoxyphenyl]methyl hydrogen carbonate
CID 141248604
4-[[5-(3-chlorophenyl)-6-methoxy-3-pyridinyl]methyl]-1,2-oxazole
CID 86296158
1-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-3-methylpiperidine
CID 155556362

Frequently Asked Questions

What is the IUPAC name of 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane?
The IUPAC name of 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane (CID 159916668) is 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane.
What is the SMILES notation for 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane?
The canonical SMILES for 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane is C1CCOC1.COc1ccc(Cc2ccc(C#N)nc2)cc1-c1cccc(Cl)c1.COc1ccc(Cc2ccc(C(C)(C)N)nc2)cc1-c1cccc(Cl)c1.
What is the InChIKey of 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane?
The InChIKey is NXWGQOVNINGQSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O.C20H15ClN2O.C4H8O/c1-22(2,24)21-10-8-16(14-25-21)11-15-7-9-20(26-3)19(12-15)17-5-4-6-18(23)13-17;1-24-20-8-6-14(9-15-5-7-18(12-22)23-13-15)10-19(20)16-3-2-4-17(21)11-16;1-2-4-5-3-1/h4-10,12-14H,11,24H2,1-3H3;2-8,10-11,13H,9H2,1H3;1-4H2.
What are the key properties of 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane?
5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane has a molecular weight of 773.81 g/mol, XLogP of 10.87, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]pyridine-2-carbonitrile;2-[5-[[3-(3-chlorophenyl)-4-methoxyphenyl]methyl]-2-pyridinyl]propan-2-amine;oxolane is sourced from PubChem (CID 159916668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).