2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide

C29H26N6O2 — CID 155977458

IUPAC2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cn(-c3ccccc3)nn2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C29H26N6O2/c1-19-25(28(36)31-21-12-6-3-7-13-21)27(24-18-35(34-33-24)23-16-10-5-11-17-23)26(20(2)30-19)29(37)32-22-14-8-4-9-15-22/h3-18,27,30H,1-2H3,(H,31,36)(H,32,37)
InChIKeyKOYIXVABXUOWQU-UHFFFAOYSA-N
MW490.57 g/mol
LogP4.78
Rot. Bonds6

About 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide

2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 155977458) has the molecular formula C29H26N6O2 and a molecular weight of 490.57 g/mol. Its IUPAC name is 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID155977458
Molecular FormulaC29H26N6O2
Molecular Weight490.57 g/mol
Exact Mass490.21
IUPAC Name2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2cn(-c3ccccc3)nn2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C29H26N6O2/c1-19-25(28(36)31-21-12-6-3-7-13-21)27(24-18-35(34-33-24)23-16-10-5-11-17-23)26(20(2)30-19)29(37)32-22-14-8-4-9-15-22/h3-18,27,30H,1-2H3,(H,31,36)(H,32,37)
InChIKeyKOYIXVABXUOWQU-UHFFFAOYSA-N
XLogP4.78
TPSA100.94 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.57
LogP ≤ 54.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide (CID 155977458) is 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2cn(-c3ccccc3)nn2)C(C(=O)Nc2ccccc2)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is KOYIXVABXUOWQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2/c1-19-25(28(36)31-21-12-6-3-7-13-21)27(24-18-35(34-33-24)23-16-10-5-11-17-23)26(20(2)30-19)29(37)32-22-14-8-4-9-15-22/h3-18,27,30H,1-2H3,(H,31,36)(H,32,37).
What are the key properties of 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide?
2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 490.57 g/mol, XLogP of 4.78, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-3-N,5-N-diphenyl-4-(1-phenyltriazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 155977458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).