3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide

C20H27N3O5 — CID 3074793

IUPAC3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCNC(=O)C1=C(C)NC(C)=C(C(=O)NC)C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H27N3O5/c1-10-15(19(24)21-3)17(16(11(2)23-10)20(25)22-4)12-8-13(26-5)18(28-7)14(9-12)27-6/h8-9,17,23H,1-7H3,(H,21,24)(H,22,25)
InChIKeyKEIXFMMPAQEHME-UHFFFAOYSA-N
MW389.45 g/mol
LogP1.44
Rot. Bonds6

About 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide

3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 3074793) has the molecular formula C20H27N3O5 and a molecular weight of 389.45 g/mol. Its IUPAC name is 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID3074793
Molecular FormulaC20H27N3O5
Molecular Weight389.45 g/mol
Exact Mass389.20
IUPAC Name3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCNC(=O)C1=C(C)NC(C)=C(C(=O)NC)C1c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C20H27N3O5/c1-10-15(19(24)21-3)17(16(11(2)23-10)20(25)22-4)12-8-13(26-5)18(28-7)14(9-12)27-6/h8-9,17,23H,1-7H3,(H,21,24)(H,22,25)
InChIKeyKEIXFMMPAQEHME-UHFFFAOYSA-N
XLogP1.44
TPSA97.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.45
LogP ≤ 51.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide (CID 3074793) is 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide is CNC(=O)C1=C(C)NC(C)=C(C(=O)NC)C1c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is KEIXFMMPAQEHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O5/c1-10-15(19(24)21-3)17(16(11(2)23-10)20(25)22-4)12-8-13(26-5)18(28-7)14(9-12)27-6/h8-9,17,23H,1-7H3,(H,21,24)(H,22,25).
What are the key properties of 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide?
3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 389.45 g/mol, XLogP of 1.44, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N,2,6-tetramethyl-4-(3,4,5-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 3074793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).