3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

C32H35N3O4 — CID 4101818

IUPAC3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCOc1cc(C2C(C(=O)Nc3c(C)cccc3C)=C(C)NC(C)=C2C(=O)Nc2c(C)cccc2C)ccc1O
InChIInChI=1S/C32H35N3O4/c1-17-10-8-11-18(2)29(17)34-31(37)26-21(5)33-22(6)27(28(26)23-14-15-24(36)25(16-23)39-7)32(38)35-30-19(3)12-9-13-20(30)4/h8-16,28,33,36H,1-7H3,(H,34,37)(H,35,38)
InChIKeyGSUMHKHETMWLAT-UHFFFAOYSA-N
MW525.65 g/mol
LogP6.15
Rot. Bonds6

About 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide

3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 4101818) has the molecular formula C32H35N3O4 and a molecular weight of 525.65 g/mol. Its IUPAC name is 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID4101818
Molecular FormulaC32H35N3O4
Molecular Weight525.65 g/mol
Exact Mass525.26
IUPAC Name3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCOc1cc(C2C(C(=O)Nc3c(C)cccc3C)=C(C)NC(C)=C2C(=O)Nc2c(C)cccc2C)ccc1O
InChIInChI=1S/C32H35N3O4/c1-17-10-8-11-18(2)29(17)34-31(37)26-21(5)33-22(6)27(28(26)23-14-15-24(36)25(16-23)39-7)32(38)35-30-19(3)12-9-13-20(30)4/h8-16,28,33,36H,1-7H3,(H,34,37)(H,35,38)
InChIKeyGSUMHKHETMWLAT-UHFFFAOYSA-N
XLogP6.15
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500525.65
LogP ≤ 56.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 4101818) is 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide is COc1cc(C2C(C(=O)Nc3c(C)cccc3C)=C(C)NC(C)=C2C(=O)Nc2c(C)cccc2C)ccc1O.
What is the InChIKey of 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is GSUMHKHETMWLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N3O4/c1-17-10-8-11-18(2)29(17)34-31(37)26-21(5)33-22(6)27(28(26)23-14-15-24(36)25(16-23)39-7)32(38)35-30-19(3)12-9-13-20(30)4/h8-16,28,33,36H,1-7H3,(H,34,37)(H,35,38).
What are the key properties of 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide?
3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 525.65 g/mol, XLogP of 6.15, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 4101818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).