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

C36H29N3O4 — CID 10650657

IUPAC2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc3oc(-c4ccccc4)cc(=O)c3c2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C36H29N3O4/c1-22-32(35(41)38-26-14-8-4-9-15-26)34(33(23(2)37-22)36(42)39-27-16-10-5-11-17-27)25-18-19-30-28(20-25)29(40)21-31(43-30)24-12-6-3-7-13-24/h3-21,34,37H,1-2H3,(H,38,41)(H,39,42)
InChIKeyGJBJZQCSOHRHNU-UHFFFAOYSA-N
MW567.65 g/mol
LogP6.97
Rot. Bonds6

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

2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide (PubChem CID 10650657) has the molecular formula C36H29N3O4 and a molecular weight of 567.65 g/mol. Its IUPAC name is 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
PubChem CID10650657
Molecular FormulaC36H29N3O4
Molecular Weight567.65 g/mol
Exact Mass567.22
IUPAC Name2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide
SMILESCC1=C(C(=O)Nc2ccccc2)C(c2ccc3oc(-c4ccccc4)cc(=O)c3c2)C(C(=O)Nc2ccccc2)=C(C)N1
InChIInChI=1S/C36H29N3O4/c1-22-32(35(41)38-26-14-8-4-9-15-26)34(33(23(2)37-22)36(42)39-27-16-10-5-11-17-27)25-18-19-30-28(20-25)29(40)21-31(43-30)24-12-6-3-7-13-24/h3-21,34,37H,1-2H3,(H,38,41)(H,39,42)
InChIKeyGJBJZQCSOHRHNU-UHFFFAOYSA-N
XLogP6.97
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.65
LogP ≤ 56.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The IUPAC name of 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide (CID 10650657) is 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide.
What is the SMILES notation for 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The canonical SMILES for 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide is CC1=C(C(=O)Nc2ccccc2)C(c2ccc3oc(-c4ccccc4)cc(=O)c3c2)C(C(=O)Nc2ccccc2)=C(C)N1.
What is the InChIKey of 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
The InChIKey is GJBJZQCSOHRHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29N3O4/c1-22-32(35(41)38-26-14-8-4-9-15-26)34(33(23(2)37-22)36(42)39-27-16-10-5-11-17-27)25-18-19-30-28(20-25)29(40)21-31(43-30)24-12-6-3-7-13-24/h3-21,34,37H,1-2H3,(H,38,41)(H,39,42).
What are the key properties of 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide?
2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide has a molecular weight of 567.65 g/mol, XLogP of 6.97, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-(4-oxo-2-phenylchromen-6-yl)-3-N,5-N-diphenyl-1,4-dihydropyridine-3,5-dicarboxamide is sourced from PubChem (CID 10650657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).