5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide

C29H25N5O — CID 25060120

IUPAC5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4nccnc4c3)c2)c1
InChIInChI=1S/C29H25N5O/c1-19-11-20(2)13-23(12-19)24-15-25(28(33-17-24)22-5-4-8-30-16-22)29(35)34(3)18-21-6-7-26-27(14-21)32-10-9-31-26/h4-17H,18H2,1-3H3
InChIKeyULPQQGAHEZWSET-UHFFFAOYSA-N
MW459.55 g/mol
LogP5.64
Rot. Bonds5

About 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide

5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide (PubChem CID 25060120) has the molecular formula C29H25N5O and a molecular weight of 459.55 g/mol. Its IUPAC name is 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide
PubChem CID25060120
Molecular FormulaC29H25N5O
Molecular Weight459.55 g/mol
Exact Mass459.21
IUPAC Name5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide
SMILESCc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4nccnc4c3)c2)c1
InChIInChI=1S/C29H25N5O/c1-19-11-20(2)13-23(12-19)24-15-25(28(33-17-24)22-5-4-8-30-16-22)29(35)34(3)18-21-6-7-26-27(14-21)32-10-9-31-26/h4-17H,18H2,1-3H3
InChIKeyULPQQGAHEZWSET-UHFFFAOYSA-N
XLogP5.64
TPSA71.87 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.55
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide (CID 25060120) is 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide is Cc1cc(C)cc(-c2cnc(-c3cccnc3)c(C(=O)N(C)Cc3ccc4nccnc4c3)c2)c1.
What is the InChIKey of 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide?
The InChIKey is ULPQQGAHEZWSET-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O/c1-19-11-20(2)13-23(12-19)24-15-25(28(33-17-24)22-5-4-8-30-16-22)29(35)34(3)18-21-6-7-26-27(14-21)32-10-9-31-26/h4-17H,18H2,1-3H3.
What are the key properties of 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide?
5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide has a molecular weight of 459.55 g/mol, XLogP of 5.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dimethylphenyl)-N-methyl-2-pyridin-3-yl-N-(quinoxalin-6-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 25060120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).