(4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide

C35H41N3O4 — CID 95907086

IUPAC(4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1=CNC(C)=C(C(=O)Nc2c(CC)cccc2CC)[C@@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C35H41N3O4/c1-7-22-13-11-14-23(8-2)32(22)37-34(40)27-20-36-21(5)30(31(27)26-17-18-28(39)29(19-26)42-6)35(41)38-33-24(9-3)15-12-16-25(33)10-4/h11-20,31,36,39H,7-10H2,1-6H3,(H,37,40)(H,38,41)/t31-/m1/s1
InChIKeyOHHQMADANZMYNJ-WJOKGBTCSA-N
MW567.73 g/mol
LogP6.77
Rot. Bonds10

About (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide

(4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 95907086) has the molecular formula C35H41N3O4 and a molecular weight of 567.73 g/mol. Its IUPAC name is (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name(4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID95907086
Molecular FormulaC35H41N3O4
Molecular Weight567.73 g/mol
Exact Mass567.31
IUPAC Name(4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCCc1cccc(CC)c1NC(=O)C1=CNC(C)=C(C(=O)Nc2c(CC)cccc2CC)[C@@H]1c1ccc(O)c(OC)c1
InChIInChI=1S/C35H41N3O4/c1-7-22-13-11-14-23(8-2)32(22)37-34(40)27-20-36-21(5)30(31(27)26-17-18-28(39)29(19-26)42-6)35(41)38-33-24(9-3)15-12-16-25(33)10-4/h11-20,31,36,39H,7-10H2,1-6H3,(H,37,40)(H,38,41)/t31-/m1/s1
InChIKeyOHHQMADANZMYNJ-WJOKGBTCSA-N
XLogP6.77
TPSA99.69 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.73
LogP ≤ 56.77
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-N,5-N-bis(2,6-dimethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxamide
CID 4101818
N-(2,6-diethylphenyl)-2,4,5-trimethoxybenzamide
CID 26880577
N-hydroxy-4-[[4-(4-hydroxy-3-methoxyphenyl)-5-[[4-[hydroxy(oxido)azaniumyl]phenyl]carbamoyl]-2,6-dimethyl-1,4-dihydropyridine-3-carbonyl]amino]benzeneamine oxide
CID 21141851
N-(2,6-diethylphenyl)-4-hydroxy-3-methylbenzamide
CID 103956619
N-(2,6-diethylphenyl)-2-hydroxy-4-methoxybenzamide
CID 43824721
N-(2-ethyl-6-methylphenyl)-2,4,5-trimethoxybenzamide
CID 2665532
2-amino-N-(2-ethyl-6-methylphenyl)-6-methoxybenzamide
CID 81394285
N-(2,6-diethylphenyl)-5,6-dimethoxy-1H-indole-3-carboxamide
CID 113206966
(4S)-4-(4-hydroxy-3-methoxyphenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 1014866
N-(2,6-diethylphenyl)-8-methoxy-2-oxochromene-3-carboxamide
CID 7470756
N-(2-ethylphenyl)-2-hydroxy-6-methoxybenzamide
CID 84579103
4-amino-N-(2,6-diethylphenyl)-3-hydroxybenzamide
CID 107073824

Frequently Asked Questions

What is the IUPAC name of (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 95907086) is (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide is CCc1cccc(CC)c1NC(=O)C1=CNC(C)=C(C(=O)Nc2c(CC)cccc2CC)[C@@H]1c1ccc(O)c(OC)c1.
What is the InChIKey of (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is OHHQMADANZMYNJ-WJOKGBTCSA-N. The full InChI is InChI=1S/C35H41N3O4/c1-7-22-13-11-14-23(8-2)32(22)37-34(40)27-20-36-21(5)30(31(27)26-17-18-28(39)29(19-26)42-6)35(41)38-33-24(9-3)15-12-16-25(33)10-4/h11-20,31,36,39H,7-10H2,1-6H3,(H,37,40)(H,38,41)/t31-/m1/s1.
What are the key properties of (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide?
(4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 567.73 g/mol, XLogP of 6.77, 10 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-N,5-N-bis(2,6-diethylphenyl)-4-(4-hydroxy-3-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 95907086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).