(2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide

C34H37N3O2 — CID 72545318

IUPAC(2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide
SMILESCc1cc(-c2ccc(NC(=O)[C@H](CC(C)C)c3cccc(-c4ccc(N5CCOCC5)cc4)c3)cc2)ccn1
InChIInChI=1S/C34H37N3O2/c1-24(2)21-33(34(38)36-31-11-7-26(8-12-31)29-15-16-35-25(3)22-29)30-6-4-5-28(23-30)27-9-13-32(14-10-27)37-17-19-39-20-18-37/h4-16,22-24,33H,17-21H2,1-3H3,(H,36,38)/t33-/m1/s1
InChIKeyPEJUJRISYADBIN-MGBGTMOVSA-N
MW519.69 g/mol
LogP7.33
Rot. Bonds8

About (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide

(2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide (PubChem CID 72545318) has the molecular formula C34H37N3O2 and a molecular weight of 519.69 g/mol. Its IUPAC name is (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide.

Molecular Properties

Compound Name(2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide
PubChem CID72545318
Molecular FormulaC34H37N3O2
Molecular Weight519.69 g/mol
Exact Mass519.29
IUPAC Name(2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide
SMILESCc1cc(-c2ccc(NC(=O)[C@H](CC(C)C)c3cccc(-c4ccc(N5CCOCC5)cc4)c3)cc2)ccn1
InChIInChI=1S/C34H37N3O2/c1-24(2)21-33(34(38)36-31-11-7-26(8-12-31)29-15-16-35-25(3)22-29)30-6-4-5-28(23-30)27-9-13-32(14-10-27)37-17-19-39-20-18-37/h4-16,22-24,33H,17-21H2,1-3H3,(H,36,38)/t33-/m1/s1
InChIKeyPEJUJRISYADBIN-MGBGTMOVSA-N
XLogP7.33
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.69
LogP ≤ 57.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide?
The IUPAC name of (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide (CID 72545318) is (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide.
What is the SMILES notation for (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide?
The canonical SMILES for (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide is Cc1cc(-c2ccc(NC(=O)[C@H](CC(C)C)c3cccc(-c4ccc(N5CCOCC5)cc4)c3)cc2)ccn1.
What is the InChIKey of (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide?
The InChIKey is PEJUJRISYADBIN-MGBGTMOVSA-N. The full InChI is InChI=1S/C34H37N3O2/c1-24(2)21-33(34(38)36-31-11-7-26(8-12-31)29-15-16-35-25(3)22-29)30-6-4-5-28(23-30)27-9-13-32(14-10-27)37-17-19-39-20-18-37/h4-16,22-24,33H,17-21H2,1-3H3,(H,36,38)/t33-/m1/s1.
What are the key properties of (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide?
(2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide has a molecular weight of 519.69 g/mol, XLogP of 7.33, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-methyl-N-[4-(2-methyl-4-pyridinyl)phenyl]-2-[3-(4-morpholin-4-ylphenyl)phenyl]pentanamide is sourced from PubChem (CID 72545318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).